2-chloranyl-4-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]carbonyloxy-benzoic acid

Systemtic Name: 2-chloranyl-4-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]carbonyloxy-benzoic acid Openeye Name: 2-chloro-4-[4-[2-(4-heptylcyclohexyl)ethyl]benzoyl]oxy-benzoic acid CAS Name: 2-chloro-4-[[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-oxomethoxy]benzoic acid IUPAC Name: 2-chloro-4-[4-[2-(4-heptylcyclohexyl)ethyl]benzoyl]oxybenzoic acid Traditional Name: 2-chloro-4-[4-[2-(4-heptylcyclohexyl)ethyl]benzoyl]oxy-benzoic acid Formula: C29H37ClO4 MolecularWeight: 485.05468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CCC2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CCCCCCCC1CCC(CC1)CCC2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C29H37ClO4/c1-2-3-4-5-6-7-21-8-10-22(11-9-21)12-13-23-14-16-24(17-15-23)29(33)34-25-18-19-26(28(31)32)27(30)20-25/h14-22H,2-13H2,1H3,(H,31,32)