(1-nonoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 3-chloranyl-4-(4-hexylphenyl)benzoate

Systemtic Name: (1-nonoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 3-chloranyl-4-(4-hexylphenyl)benzoate Openeye Name: (1-nonoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 3-chloro-4-(4-hexylphenyl)benzoate CAS Name: 3-chloro-4-(4-hexylphenyl)benzoic acid (1-nonoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-nonoxy-4-phenylcyclohexa-2,5-dien-1-yl) 3-chloro-4-(4-hexylphenyl)benzoate Traditional Name: 3-chloro-4-(4-hexylphenyl)benzoic acid (1-nonoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C40H49ClO3 MolecularWeight: 613.26826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)C4=CC=C(C=C4)CCCCCC)Cl

Isomeric SMILES

CCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)C4=CC=C(C=C4)CCCCCC)Cl

InChI

InChI=1S/C40H49ClO3/c1-3-5-7-9-10-11-16-30-43-40(28-26-34(27-29-40)33-18-14-12-15-19-33)44-39(42)36-24-25-37(38(41)31-36)35-22-20-32(21-23-35)17-13-8-6-4-2/h12,14-15,18-29,31,34H,3-11,13,16-17,30H2,1-2H3