3-[[3-(4-hexadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzenesulfonic acid

Systemtic Name: 3-[[3-(4-hexadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzenesulfonic acid Openeye Name: 3-[[3-(4-hexadecoxyphenyl)-3-oxo-propanoyl]amino]benzenesulfonic acid CAS Name: 3-[[3-(4-hexadecoxyphenyl)-1,3-dioxopropyl]amino]benzenesulfonic acid IUPAC Name: 3-[[3-(4-hexadecoxyphenyl)-3-oxopropanoyl]amino]benzenesulfonic acid Traditional Name: 3-[[3-(4-cetyloxyphenyl)-3-keto-propanoyl]amino]besylic acid Formula: C31H45NO6S MolecularWeight: 559.7571

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C31H45NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-38-28-21-19-26(20-22-28)30(33)25-31(34)32-27-17-16-18-29(24-27)39(35,36)37/h16-22,24H,2-15,23,25H2,1H3,(H,32,34)(H,35,36,37)