methyl 7-[3-oxidanyl-5-oxidanylidene-2-[(E)-2-phenylethenyl]cyclopenten-1-yl]heptanoate

Systemtic Name: methyl 7-[3-oxidanyl-5-oxidanylidene-2-[(E)-2-phenylethenyl]cyclopenten-1-yl]heptanoate Openeye Name: methyl 7-[3-hydroxy-5-oxo-2-[(E)-styryl]cyclopenten-1-yl]heptanoate CAS Name: 7-[3-hydroxy-5-oxo-2-[(E)-2-phenylethenyl]-1-cyclopentenyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[3-hydroxy-5-oxo-2-[(E)-2-phenylethenyl]cyclopenten-1-yl]heptanoate Traditional Name: 7-[3-hydroxy-5-keto-2-[(E)-styryl]cyclopenten-1-yl]enanthic acid methyl ester Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCC1=C(C(CC1=O)O)C=CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCCC1=C(C(CC1=O)O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H26O4/c1-25-21(24)12-8-3-2-7-11-17-18(20(23)15-19(17)22)14-13-16-9-5-4-6-10-16/h4-6,9-10,13-14,20,23H,2-3,7-8,11-12,15H2,1H3/b14-13+