4-[9,10-bis(oxidanyl)octadecylcarbamoyl]-2-(ethylsulfonylamino)benzoic acid

Systemtic Name: 4-[9,10-bis(oxidanyl)octadecylcarbamoyl]-2-(ethylsulfonylamino)benzoic acid Openeye Name: 4-(9,10-dihydroxyoctadecylcarbamoyl)-2-(ethylsulfonylamino)benzoic acid CAS Name: 4-[(9,10-dihydroxyoctadecylamino)-oxomethyl]-2-(ethylsulfonylamino)benzoic acid IUPAC Name: 4-(9,10-dihydroxyoctadecylcarbamoyl)-2-(ethylsulfonylamino)benzoic acid Traditional Name: 4-(9,10-dihydroxyoctadecylcarbamoyl)-2-(esylamino)benzoic acid Formula: C28H48N2O7S MolecularWeight: 556.75492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCCNC(=O)C1=CC(=C(C=C1)C(=O)O)NS(=O)(=O)CC)O)O

Isomeric SMILES

CCCCCCCCC(C(CCCCCCCCNC(=O)C1=CC(=C(C=C1)C(=O)O)NS(=O)(=O)CC)O)O

InChI

InChI=1S/C28H48N2O7S/c1-3-5-6-7-10-13-16-25(31)26(32)17-14-11-8-9-12-15-20-29-27(33)22-18-19-23(28(34)35)24(21-22)30-38(36,37)4-2/h18-19,21,25-26,30-32H,3-17,20H2,1-2H3,(H,29,33)(H,34,35)