6-hexyl-9-[4-(trichloromethyloxy)phenyl]carbonyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid

Systemtic Name: 6-hexyl-9-[4-(trichloromethyloxy)phenyl]carbonyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Openeye Name: 6-hexyl-9-[4-(trichloromethoxy)benzoyl]-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid CAS Name: 6-hexyl-9-[oxo-[4-(trichloromethoxy)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid IUPAC Name: 6-hexyl-9-[4-(trichloromethoxy)benzoyl]-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Traditional Name: 6-hexyl-9-[4-(trichloromethoxy)benzoyl]-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Formula: C27H28Cl3NO4 MolecularWeight: 536.87452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)N(C3=C2C(CCC3)C(=O)O)C(=O)C4=CC=C(C=C4)OC(Cl)(Cl)Cl

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)N(C3=C2C(CCC3)C(=O)O)C(=O)C4=CC=C(C=C4)OC(Cl)(Cl)Cl

InChI

InChI=1S/C27H28Cl3NO4/c1-2-3-4-5-7-17-10-15-22-21(16-17)24-20(26(33)34)8-6-9-23(24)31(22)25(32)18-11-13-19(14-12-18)35-27(28,29)30/h10-16,20H,2-9H2,1H3,(H,33,34)