[5-[(2-chloranyl-4-dodecoxy-phenyl)methyl]cyclohexa-1,5-dien-1-yl] ethanoate

Systemtic Name: [5-[(2-chloranyl-4-dodecoxy-phenyl)methyl]cyclohexa-1,5-dien-1-yl] ethanoate Openeye Name: [5-[(2-chloro-4-dodecoxy-phenyl)methyl]cyclohexa-1,5-dien-1-yl] acetate CAS Name: acetic acid [5-[(2-chloro-4-dodecoxyphenyl)methyl]-1-cyclohexa-1,5-dienyl] ester IUPAC Name: [5-[(2-chloro-4-dodecoxyphenyl)methyl]cyclohexa-1,5-dien-1-yl] acetate Traditional Name: acetic acid [5-(2-chloro-4-lauryloxy-benzyl)cyclohexa-1,5-dien-1-yl] ester Formula: C27H39ClO3 MolecularWeight: 447.04976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)CC2=CC(=CCC2)OC(=O)C)Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)CC2=CC(=CCC2)OC(=O)C)Cl

InChI

InChI=1S/C27H39ClO3/c1-3-4-5-6-7-8-9-10-11-12-18-30-25-17-16-24(27(28)21-25)19-23-14-13-15-26(20-23)31-22(2)29/h15-17,20-21H,3-14,18-19H2,1-2H3