4-[9,10-bis(oxidanyl)octadecylcarbamoyl]-2-(naphthalen-1-ylsulfonylamino)benzoic acid

Systemtic Name: 4-[9,10-bis(oxidanyl)octadecylcarbamoyl]-2-(naphthalen-1-ylsulfonylamino)benzoic acid Openeye Name: 4-(9,10-dihydroxyoctadecylcarbamoyl)-2-(1-naphthylsulfonylamino)benzoic acid CAS Name: 4-[(9,10-dihydroxyoctadecylamino)-oxomethyl]-2-(1-naphthalenylsulfonylamino)benzoic acid IUPAC Name: 4-(9,10-dihydroxyoctadecylcarbamoyl)-2-(naphthalen-1-ylsulfonylamino)benzoic acid Traditional Name: 4-(9,10-dihydroxyoctadecylcarbamoyl)-2-(1-naphthylsulfonylamino)benzoic acid Formula: C36H50N2O7S MolecularWeight: 654.8564

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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)C2=CC=CC3=CC=CC=C32)O)O

Isomeric SMILES

CCCCCCCCC(C(CCCCCCCCNC(=O)C1=CC(=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=CC3=CC=CC=C32)O)O

InChI

InChI=1S/C36H50N2O7S/c1-2-3-4-5-8-11-20-32(39)33(40)21-12-9-6-7-10-15-25-37-35(41)28-23-24-30(36(42)43)31(26-28)38-46(44,45)34-22-16-18-27-17-13-14-19-29(27)34/h13-14,16-19,22-24,26,32-33,38-40H,2-12,15,20-21,25H2,1H3,(H,37,41)(H,42,43)