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

Systemtic Name: 3-decyl-2-methyl-1-(4-phenylphenyl)carbonyl-indole-5-sulfonic acid Openeye Name: 3-decyl-2-methyl-1-(4-phenylbenzoyl)indole-5-sulfonic acid CAS Name: 3-decyl-2-methyl-1-[oxo-(4-phenylphenyl)methyl]-5-indolesulfonic acid IUPAC Name: 3-decyl-2-methyl-1-(4-phenylbenzoyl)indole-5-sulfonic acid Traditional Name: 3-decyl-2-methyl-1-(4-phenylbenzoyl)indole-5-sulfonic acid Formula: C32H37NO4S MolecularWeight: 531.70548

Click to see the large picture

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)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCCCCCCC1=C(N(C2=C1C=C(C=C2)S(=O)(=O)O)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C32H37NO4S/c1-3-4-5-6-7-8-9-13-16-29-24(2)33(31-22-21-28(23-30(29)31)38(35,36)37)32(34)27-19-17-26(18-20-27)25-14-11-10-12-15-25/h10-12,14-15,17-23H,3-9,13,16H2,1-2H3,(H,35,36,37)