4-[[3-[[3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[3-[[3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[3-[[3-(2-octadecoxyphenyl)-3-oxo-propanoyl]amino]phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[3-[[3-(2-octadecoxyphenyl)-1,3-dioxopropyl]amino]phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[3-[[3-(2-octadecoxyphenyl)-3-oxopropanoyl]amino]phenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[3-[[3-keto-3-(2-stearyloxyphenyl)propanoyl]amino]phenyl]sulfonylamino]benzoic acid Formula: C40H54N2O7S MolecularWeight: 706.93096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C40H54N2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-49-38-24-18-17-23-36(38)37(43)31-39(44)41-34-21-20-22-35(30-34)50(47,48)42-33-27-25-32(26-28-33)40(45)46/h17-18,20-28,30,42H,2-16,19,29,31H2,1H3,(H,41,44)(H,45,46)