[3-(hydroxymethyl)-2-[(E)-7-methoxy-7-oxidanylidene-hept-2-enyl]-4-(oxan-2-yloxy)cyclopentyl] benzoate

Systemtic Name: [3-(hydroxymethyl)-2-[(E)-7-methoxy-7-oxidanylidene-hept-2-enyl]-4-(oxan-2-yloxy)cyclopentyl] benzoate Openeye Name: [3-(hydroxymethyl)-2-[(E)-7-methoxy-7-oxo-hept-2-enyl]-4-tetrahydropyran-2-yloxy-cyclopentyl] benzoate CAS Name: benzoic acid [3-(hydroxymethyl)-2-[(E)-7-methoxy-7-oxohept-2-enyl]-4-(2-oxanyloxy)cyclopentyl] ester IUPAC Name: [3-(hydroxymethyl)-2-[(E)-7-methoxy-7-oxohept-2-enyl]-4-(oxan-2-yloxy)cyclopentyl] benzoate Traditional Name: benzoic acid [2-[(E)-7-keto-7-methoxy-hept-2-enyl]-3-methylol-4-tetrahydropyran-2-yloxy-cyclopentyl] ester Formula: C26H36O7 MolecularWeight: 460.55984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CCC1C(CC(C1CO)OC2CCCCO2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC/C=C/CC1C(CC(C1CO)OC2CCCCO2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H36O7/c1-30-24(28)14-8-3-2-7-13-20-21(18-27)23(32-25-15-9-10-16-31-25)17-22(20)33-26(29)19-11-5-4-6-12-19/h2,4-7,11-12,20-23,25,27H,3,8-10,13-18H2,1H3/b7-2+