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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)N(C3=C2CC(CC3)C(=O)O)C(=O)C4=CC=C(C=C4)OC(Cl)(Cl)Cl

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)N(C3=C2CC(CC3)C(=O)O)C(=O)C4=CC=C(C=C4)OC(Cl)(Cl)Cl

InChI

InChI=1S/C27H28Cl3NO4/c1-2-3-4-5-6-17-7-13-23-21(15-17)22-16-19(26(33)34)10-14-24(22)31(23)25(32)18-8-11-20(12-9-18)35-27(28,29)30/h7-9,11-13,15,19H,2-6,10,14,16H2,1H3,(H,33,34)