[3-chloranyl-4-(4-pentylphenyl)carbonyloxy-phenyl] 4-pentylbenzoate

Systemtic Name: [3-chloranyl-4-(4-pentylphenyl)carbonyloxy-phenyl] 4-pentylbenzoate Openeye Name: [3-chloro-4-(4-pentylbenzoyl)oxy-phenyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [3-chloro-4-[oxo-(4-pentylphenyl)methoxy]phenyl] ester IUPAC Name: [3-chloro-4-(4-pentylbenzoyl)oxyphenyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [4-(4-amylbenzoyl)oxy-3-chloro-phenyl] ester Formula: C30H33ClO4 MolecularWeight: 493.03362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33ClO4/c1-3-5-7-9-22-11-15-24(16-12-22)29(32)34-26-19-20-28(27(31)21-26)35-30(33)25-17-13-23(14-18-25)10-8-6-4-2/h11-21H,3-10H2,1-2H3