5,7-bis(bromanyl)-9-(4-hexylphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid

Systemtic Name: 5,7-bis(bromanyl)-9-(4-hexylphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Openeye Name: 5,7-dibromo-9-(4-hexylbenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid CAS Name: 5,7-dibromo-9-[(4-hexylphenyl)-oxomethyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid IUPAC Name: 5,7-dibromo-9-(4-hexylbenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Traditional Name: 5,7-dibromo-9-(4-hexylbenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Formula: C26H27Br2NO3 MolecularWeight: 561.30548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)C(=O)O)C4=C(C=C(C=C42)Br)Br

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)C(=O)O)C4=C(C=C(C=C42)Br)Br

InChI

InChI=1S/C26H27Br2NO3/c1-2-3-4-5-6-16-7-9-17(10-8-16)25(30)29-22-12-11-18(26(31)32)13-20(22)24-21(28)14-19(27)15-23(24)29/h7-10,14-15,18H,2-6,11-13H2,1H3,(H,31,32)