[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]phenyl] heptadecane-1-sulfonate

Systemtic Name: [4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]phenyl] heptadecane-1-sulfonate Openeye Name: [4-[(2,3-dihydroxybenzoyl)amino]phenyl] heptadecane-1-sulfonate CAS Name: 1-heptadecanesulfonic acid IUPAC Name: [4-[(2,3-dihydroxybenzoyl)amino]phenyl] heptadecane-1-sulfonate Traditional Name: heptadecane-1-sulfonic acid [4-[(2,3-dihydroxybenzoyl)amino]phenyl] ester Formula: C30H45NO6S MolecularWeight: 547.7464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)NC(=O)C2=C(C(=CC=C2)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)NC(=O)C2=C(C(=CC=C2)O)O

InChI

InChI=1S/C30H45NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-38(35,36)37-26-22-20-25(21-23-26)31-30(34)27-18-17-19-28(32)29(27)33/h17-23,32-33H,2-16,24H2,1H3,(H,31,34)