1-(4-chlorophenyl)carbonyl-2-methyl-3-octyl-indole-5-sulfonic acid

Systemtic Name: 1-(4-chlorophenyl)carbonyl-2-methyl-3-octyl-indole-5-sulfonic acid Openeye Name: 1-(4-chlorobenzoyl)-2-methyl-3-octyl-indole-5-sulfonic acid CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-2-methyl-3-octyl-5-indolesulfonic acid IUPAC Name: 1-(4-chlorobenzoyl)-2-methyl-3-octylindole-5-sulfonic acid Traditional Name: 1-(4-chlorobenzoyl)-2-methyl-3-octyl-indole-5-sulfonic acid Formula: C24H28ClNO4S MolecularWeight: 462.00142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N(C2=C1C=C(C=C2)S(=O)(=O)O)C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCCCCCCC1=C(N(C2=C1C=C(C=C2)S(=O)(=O)O)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C24H28ClNO4S/c1-3-4-5-6-7-8-9-21-17(2)26(24(27)18-10-12-19(25)13-11-18)23-15-14-20(16-22(21)23)31(28,29)30/h10-16H,3-9H2,1-2H3,(H,28,29,30)