[4-[(E)-(2-oxidanylidenecyclohexylidene)methyl]phenyl] 4-methylbenzoate

Systemtic Name: [4-[(E)-(2-oxidanylidenecyclohexylidene)methyl]phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-(2-oxocyclohexylidene)methyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(E)-(2-oxocyclohexylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(2-oxocyclohexylidene)methyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-(2-ketocyclohexylidene)methyl]phenyl] ester Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C3CCCCC3=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C/3\CCCCC3=O

InChI

InChI=1S/C21H20O3/c1-15-6-10-17(11-7-15)21(23)24-19-12-8-16(9-13-19)14-18-4-2-3-5-20(18)22/h6-14H,2-5H2,1H3/b18-14+