methyl 4-[1-(2-oxidanylcyclohexylidene)hept-1-en-2-yl]benzoate

Systemtic Name: methyl 4-[1-(2-oxidanylcyclohexylidene)hept-1-en-2-yl]benzoate Openeye Name: methyl 4-[1-[(2-hydroxycyclohexylidene)methylene]hexyl]benzoate CAS Name: 4-[1-(2-hydroxycyclohexylidene)hept-1-en-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(2-hydroxycyclohexylidene)hept-1-en-2-yl]benzoate Traditional Name: 4-[1-amyl-2-(2-hydroxycyclohexylidene)vinyl]benzoic acid methyl ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=C=C1CCCCC1O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCC(=C=C1CCCCC1O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H28O3/c1-3-4-5-8-18(15-19-9-6-7-10-20(19)22)16-11-13-17(14-12-16)21(23)24-2/h11-14,20,22H,3-10H2,1-2H3