4-[4-(4-pentylcyclohexyl)phenyl]phthalic acid

Systemtic Name: 4-[4-(4-pentylcyclohexyl)phenyl]phthalic acid Openeye Name: 4-[4-(4-pentylcyclohexyl)phenyl]phthalic acid CAS Name: 4-[4-(4-pentylcyclohexyl)phenyl]phthalic acid IUPAC Name: 4-[4-(4-pentylcyclohexyl)phenyl]phthalic acid Traditional Name: 4-[4-(4-amylcyclohexyl)phenyl]phthalic acid Formula: C25H30O4 MolecularWeight: 394.5033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30O4/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(24(26)27)23(16-21)25(28)29/h10-18H,2-9H2,1H3,(H,26,27)(H,28,29)