5-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxypentanoic acid

Systemtic Name: 5-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxypentanoic acid Openeye Name: 5-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-3-oxo-cyclohexa-1,5-dien-1-yl]oxypentanoic acid CAS Name: 5-[[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-3-oxo-1-cyclohexa-1,5-dienyl]oxy]pentanoic acid IUPAC Name: 5-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-3-oxocyclohexa-1,5-dien-1-yl]oxypentanoic acid Traditional Name: 5-[3-keto-6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]cyclohexa-1,5-dien-1-yl]oxyvaleric acid Formula: C24H30O5 MolecularWeight: 398.492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CCCCCC2=CCC(=O)C=C2OCCCCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/CCCCC2=CCC(=O)C=C2OCCCCC(=O)O

InChI

InChI=1S/C24H30O5/c1-28-22-15-11-19(12-16-22)8-4-2-3-5-9-20-13-14-21(25)18-23(20)29-17-7-6-10-24(26)27/h4,8,11-13,15-16,18H,2-3,5-7,9-10,14,17H2,1H3,(H,26,27)/b8-4+