2-chloranyl-4-(2-pentylphenyl)-4-(4-pentylphenyl)carbonyloxy-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 2-chloranyl-4-(2-pentylphenyl)-4-(4-pentylphenyl)carbonyloxy-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 2-chloro-4-(4-pentylbenzoyl)oxy-4-(2-pentylphenyl)cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 2-chloro-4-[oxo-(4-pentylphenyl)methoxy]-4-(2-pentylphenyl)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 2-chloro-4-(4-pentylbenzoyl)oxy-4-(2-pentylphenyl)cyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-(4-amylbenzoyl)oxy-4-(2-amylphenyl)-2-chloro-cyclohexa-2,5-diene-1-carboxylic acid Formula: C30H35ClO4 MolecularWeight: 495.0495

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C(=C2)Cl)C(=O)O)C3=CC=CC=C3CCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C(=C2)Cl)C(=O)O)C3=CC=CC=C3CCCCC

InChI

InChI=1S/C30H35ClO4/c1-3-5-7-11-22-15-17-24(18-16-22)29(34)35-30(20-19-25(28(32)33)27(31)21-30)26-14-10-9-13-23(26)12-8-6-4-2/h9-10,13-21,25H,3-8,11-12H2,1-2H3,(H,32,33)