2-chloranyl-3-(4-decanoyloxyphenyl)-4-(3-methylpentyl)benzoic acid

Systemtic Name: 2-chloranyl-3-(4-decanoyloxyphenyl)-4-(3-methylpentyl)benzoic acid Openeye Name: 2-chloro-3-(4-decanoyloxyphenyl)-4-(3-methylpentyl)benzoic acid CAS Name: 2-chloro-4-(3-methylpentyl)-3-[4-(1-oxodecoxy)phenyl]benzoic acid IUPAC Name: 2-chloro-3-(4-decanoyloxyphenyl)-4-(3-methylpentyl)benzoic acid Traditional Name: 3-(4-capryloxyphenyl)-2-chloro-4-(3-methylpentyl)benzoic acid Formula: C29H39ClO4 MolecularWeight: 487.07056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=C(C=CC(=C2Cl)C(=O)O)CCC(C)CC

Isomeric SMILES

CCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=C(C=CC(=C2Cl)C(=O)O)CCC(C)CC

InChI

InChI=1S/C29H39ClO4/c1-4-6-7-8-9-10-11-12-26(31)34-24-18-15-23(16-19-24)27-22(14-13-21(3)5-2)17-20-25(28(27)30)29(32)33/h15-21H,4-14H2,1-3H3,(H,32,33)