3,4-bis(1-methylcyclohexyl)phthalate

Systemtic Name: 3,4-bis(1-methylcyclohexyl)phthalate Openeye Name: 3,4-bis(1-methylcyclohexyl)phthalate CAS Name: 3,4-bis(1-methylcyclohexyl)phthalate IUPAC Name: 3,4-bis(1-methylcyclohexyl)phthalate Traditional Name: 3,4-bis(1-methylcyclohexyl)phthalate Formula: C22H28O4-2 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])C3(CCCCC3)C

Isomeric SMILES

CC1(CCCCC1)C2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])C3(CCCCC3)C

InChI

InChI=1S/C22H30O4/c1-21(11-5-3-6-12-21)16-10-9-15(19(23)24)17(20(25)26)18(16)22(2)13-7-4-8-14-22/h9-10H,3-8,11-14H2,1-2H3,(H,23,24)(H,25,26)/p-2