6-hexylsulfonyl-9-(phenylcarbonyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid

Systemtic Name: 6-hexylsulfonyl-9-(phenylcarbonyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Openeye Name: 9-benzoyl-6-hexylsulfonyl-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid CAS Name: 9-benzoyl-6-hexylsulfonyl-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid IUPAC Name: 9-benzoyl-6-hexylsulfonyl-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Traditional Name: 9-benzoyl-6-hexylsulfonyl-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Formula: C27H29NO7S MolecularWeight: 511.58666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=CC2=C(C=C1)N(C3=C2CC(CC3)(C(=O)O)C(=O)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCS(=O)(=O)C1=CC2=C(C=C1)N(C3=C2CC(CC3)(C(=O)O)C(=O)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29NO7S/c1-2-3-4-8-15-36(34,35)19-11-12-22-20(16-19)21-17-27(25(30)31,26(32)33)14-13-23(21)28(22)24(29)18-9-6-5-7-10-18/h5-7,9-12,16H,2-4,8,13-15,17H2,1H3,(H,30,31)(H,32,33)