7-[2-[(E)-3-(4-tert-butylphenyl)-3-oxidanylidene-prop-1-enyl]-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[(E)-3-(4-tert-butylphenyl)-3-oxidanylidene-prop-1-enyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-3-(4-tert-butylphenyl)-3-oxo-prop-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-3-(4-tert-butylphenyl)-3-oxoprop-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-3-(4-tert-butylphenyl)-3-oxoprop-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(E)-3-(4-tert-butylphenyl)-3-keto-prop-1-enyl]-5-keto-cyclopentyl]enanthic acid Formula: C25H34O4 MolecularWeight: 398.53506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C=CC2CCC(=O)C2CCCCCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)/C=C/C2CCC(=O)C2CCCCCCC(=O)O

InChI

InChI=1S/C25H34O4/c1-25(2,3)20-14-10-19(11-15-20)22(26)16-12-18-13-17-23(27)21(18)8-6-4-5-7-9-24(28)29/h10-12,14-16,18,21H,4-9,13,17H2,1-3H3,(H,28,29)/b16-12+