2-methyl-5-oxidanyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-indole-3,4-dicarboxylic acid

Systemtic Name: 2-methyl-5-oxidanyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-indole-3,4-dicarboxylic acid Openeye Name: 5-hydroxy-2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-indole-3,4-dicarboxylic acid CAS Name: 5-hydroxy-2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylindole-3,4-dicarboxylic acid IUPAC Name: 5-hydroxy-2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylindole-3,4-dicarboxylic acid Traditional Name: 5-hydroxy-2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-indole-3,4-dicarboxylic acid Formula: C21H21NO7S MolecularWeight: 431.45894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2C(=C(C3=C2C=CC(=C3C(=O)O)O)C(=O)O)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2C(=C(C3=C2C=CC(=C3C(=O)O)O)C(=O)O)C)C)C

InChI

InChI=1S/C21H21NO7S/c1-9-8-10(2)12(4)19(11(9)3)30(28,29)22-13(5)16(20(24)25)17-14(22)6-7-15(23)18(17)21(26)27/h6-8,23H,1-5H3,(H,24,25)(H,26,27)