1-azanyl-19-oxidanylidene-19-(1-oxidanylnaphthalen-2-yl)nonadecane-4-sulfonic acid

Systemtic Name: 1-azanyl-19-oxidanylidene-19-(1-oxidanylnaphthalen-2-yl)nonadecane-4-sulfonic acid Openeye Name: 1-amino-19-(1-hydroxy-2-naphthyl)-19-oxo-nonadecane-4-sulfonic acid CAS Name: 1-amino-19-(1-hydroxy-2-naphthalenyl)-19-oxo-4-nonadecanesulfonic acid IUPAC Name: 1-amino-19-(1-hydroxynaphthalen-2-yl)-19-oxononadecane-4-sulfonic acid Traditional Name: 1-amino-19-(1-hydroxy-2-naphthyl)-19-keto-nonadecane-4-sulfonic acid Formula: C29H45NO5S MolecularWeight: 519.7363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2O)C(=O)CCCCCCCCCCCCCCC(CCCN)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2O)C(=O)CCCCCCCCCCCCCCC(CCCN)S(=O)(=O)O

InChI

InChI=1S/C29H45NO5S/c30-23-15-18-25(36(33,34)35)17-11-9-7-5-3-1-2-4-6-8-10-12-20-28(31)27-22-21-24-16-13-14-19-26(24)29(27)32/h13-14,16,19,21-22,25,32H,1-12,15,17-18,20,23,30H2,(H,33,34,35)