(4-cyclohexa-1,3-dien-1-ylphenyl) 2-chloranyl-3-methyl-hexanoate

Systemtic Name: (4-cyclohexa-1,3-dien-1-ylphenyl) 2-chloranyl-3-methyl-hexanoate Openeye Name: (4-cyclohexa-1,3-dien-1-ylphenyl) 2-chloro-3-methyl-hexanoate CAS Name: 2-chloro-3-methylhexanoic acid [4-(1-cyclohexa-1,3-dienyl)phenyl] ester IUPAC Name: (4-cyclohexa-1,3-dien-1-ylphenyl) 2-chloro-3-methylhexanoate Traditional Name: 2-chloro-3-methyl-hexanoic acid (4-cyclohexa-1,3-dien-1-ylphenyl) ester Formula: C19H23ClO2 MolecularWeight: 318.83772

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C(=O)OC1=CC=C(C=C1)C2=CC=CCC2)Cl

Isomeric SMILES

CCCC(C)C(C(=O)OC1=CC=C(C=C1)C2=CC=CCC2)Cl

InChI

InChI=1S/C19H23ClO2/c1-3-7-14(2)18(20)19(21)22-17-12-10-16(11-13-17)15-8-5-4-6-9-15/h4-5,8,10-14,18H,3,6-7,9H2,1-2H3