2-[1-(4-pentylcyclohexyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]propanedioic acid

Systemtic Name: 2-[1-(4-pentylcyclohexyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]propanedioic acid Openeye Name: 2-[1-(4-pentylcyclohexyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]propanedioic acid CAS Name: 2-[1-(4-pentylcyclohexyl)-4-phenyl-1-cyclohexa-2,5-dienyl]propanedioic acid IUPAC Name: 2-[1-(4-pentylcyclohexyl)-4-phenylcyclohexa-2,5-dien-1-yl]propanedioic acid Traditional Name: 2-[1-(4-amylcyclohexyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]malonic acid Formula: C26H34O4 MolecularWeight: 410.54576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2(C=CC(C=C2)C3=CC=CC=C3)C(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCC1CCC(CC1)C2(C=CC(C=C2)C3=CC=CC=C3)C(C(=O)O)C(=O)O

InChI

InChI=1S/C26H34O4/c1-2-3-5-8-19-11-13-22(14-12-19)26(23(24(27)28)25(29)30)17-15-21(16-18-26)20-9-6-4-7-10-20/h4,6-7,9-10,15-19,21-23H,2-3,5,8,11-14H2,1H3,(H,27,28)(H,29,30)