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

Systemtic Name: 1-(4-chlorophenyl)carbonyl-3-decyl-2-methyl-indole-5-sulfonic acid Openeye Name: 1-(4-chlorobenzoyl)-3-decyl-2-methyl-indole-5-sulfonic acid CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-decyl-2-methyl-5-indolesulfonic acid IUPAC Name: 1-(4-chlorobenzoyl)-3-decyl-2-methylindole-5-sulfonic acid Traditional Name: 1-(4-chlorobenzoyl)-3-decyl-2-methyl-indole-5-sulfonic acid Formula: C26H32ClNO4S MolecularWeight: 490.05458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(N(C2=C1C=C(C=C2)S(=O)(=O)O)C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCCCCCCCCC1=C(N(C2=C1C=C(C=C2)S(=O)(=O)O)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C26H32ClNO4S/c1-3-4-5-6-7-8-9-10-11-23-19(2)28(26(29)20-12-14-21(27)15-13-20)25-17-16-22(18-24(23)25)33(30,31)32/h12-18H,3-11H2,1-2H3,(H,30,31,32)