N-[(11bS)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide triethylamine adduct

Catalog Number	ACM1808205879
CAS	1808205-87-9
IUPAC Name	N,N-diethylethanamine;N-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1,1,1-trifluoromethanesulfonamide
Molecular Weight	564.56
Molecular Formula	C27H28F3N2O4PS
InChI	CSEKRNBJQQKIGE-UHFFFAOYSA-N
InChI Key	InChI=1S/C21H13F3NO4PS.C6H15N/c22-21(23,24)31(26,27)25-30-28-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)29-30;1-4-7(5-2)6-3/h1-12,25H;4-6H2,1-3H3
Purity	98%
Isomeric SMILES	CCN(CC)CC.C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)OP(O3)NS(=O)(=O)C(F)(F)F

Q&A

What is the molecular formula of N-[(11bS)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide triethylamine adduct?

The molecular formula is C27H28F3N2O4PS.

What is the molecular weight of N-[(11bS)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide triethylamine adduct?

The molecular weight is 564.6 g/mol.

What is the exact mass of N-[(11bS)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide triethylamine adduct?

The exact mass is 564.14595004.

What is the Canonical SMILES representation of N-[(11bS)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide triethylamine adduct?

CCN(CC)CC.C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)OP(O3)NS(=O)(=O)C(F)(F)F

How many covalently-bonded units are there in N-[(11bS)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide triethylamine adduct?

There are 2 covalently-bonded units.

What is the Computed Properties Rotatable Bond Count of N-[(11bS)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide triethylamine adduct?

The Rotatable Bond Count is 5.

How many Heavy Atoms are present in N-[(11bS)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide triethylamine adduct?

There are 38 Heavy Atoms.

What are some Depositor-Supplied Synonyms of N-[(11bS)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide triethylamine adduct?

Some synonyms include N-[(11bS)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide triethylamine adduct, and METAMORPhos.

What is the InChIKey of N-[(11bS)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide triethylamine adduct?

The InChIKey is CSEKRNBJQQKIGE-UHFFFAOYSA-N.

What is the IUPAC Name of N-[(11bS)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide triethylamine adduct?

The IUPAC Name is N,N-diethylethanamine; N-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1,1,1-trifluoromethanesulfonamide.