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

Systemtic Name: 4-methoxy-3-[[3-(4-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzenesulfonic acid Openeye Name: 4-methoxy-3-[[3-(4-octadecoxyphenyl)-3-oxo-propanoyl]amino]benzenesulfonic acid CAS Name: 4-methoxy-3-[[3-(4-octadecoxyphenyl)-1,3-dioxopropyl]amino]benzenesulfonic acid IUPAC Name: 4-methoxy-3-[[3-(4-octadecoxyphenyl)-3-oxopropanoyl]amino]benzenesulfonic acid Traditional Name: 3-[[3-keto-3-(4-stearyloxyphenyl)propanoyl]amino]-4-methoxy-besylic acid Formula: C34H51NO7S MolecularWeight: 617.83624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)O)OC

InChI

InChI=1S/C34H51NO7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-42-29-21-19-28(20-22-29)32(36)27-34(37)35-31-26-30(43(38,39)40)23-24-33(31)41-2/h19-24,26H,3-18,25,27H2,1-2H3,(H,35,37)(H,38,39,40)