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

Systemtic Name: [4-[[3,4-bis(oxidanyl)phenyl]carbamoyl]phenyl] heptadecane-1-sulfonate Openeye Name: [4-[(3,4-dihydroxyphenyl)carbamoyl]phenyl] heptadecane-1-sulfonate CAS Name: 1-heptadecanesulfonic acid IUPAC Name: [4-[(3,4-dihydroxyphenyl)carbamoyl]phenyl] heptadecane-1-sulfonate Traditional Name: heptadecane-1-sulfonic acid [4-[(3,4-dihydroxyphenyl)carbamoyl]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)C(=O)NC2=CC(=C(C=C2)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)O)O

InChI

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