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

Systemtic Name: 4-[9,10-bis(oxidanyl)octadecylcarbamoyl]-2-(propan-2-ylsulfonylamino)benzoic acid Openeye Name: 4-(9,10-dihydroxyoctadecylcarbamoyl)-2-(isopropylsulfonylamino)benzoic acid CAS Name: 4-[(9,10-dihydroxyoctadecylamino)-oxomethyl]-2-(propan-2-ylsulfonylamino)benzoic acid IUPAC Name: 4-(9,10-dihydroxyoctadecylcarbamoyl)-2-(propan-2-ylsulfonylamino)benzoic acid Traditional Name: 4-(9,10-dihydroxyoctadecylcarbamoyl)-2-(isopropylsulfonylamino)benzoic acid Formula: C29H50N2O7S MolecularWeight: 570.7815

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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)C(C)C)O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H50N2O7S/c1-4-5-6-7-10-13-16-26(32)27(33)17-14-11-8-9-12-15-20-30-28(34)23-18-19-24(29(35)36)25(21-23)31-39(37,38)22(2)3/h18-19,21-22,26-27,31-33H,4-17,20H2,1-3H3,(H,30,34)(H,35,36)