3,4-bis[(E)-2-oxidanylidene-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enyl]phthalate

Systemtic Name: 3,4-bis[(E)-2-oxidanylidene-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enyl]phthalate Openeye Name: 3,4-bis[(E)-2-oxo-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enyl]phthalate CAS Name: 3,4-bis[(E)-2-oxo-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-enyl]phthalate IUPAC Name: 3,4-bis[(E)-2-oxo-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enyl]phthalate Traditional Name: 3,4-bis[(E)-2-keto-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-enyl]phthalate Formula: C34H40O6-2 MolecularWeight: 544.6778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(C1C=CC(=O)CC2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])CC(=O)C=CC3C(=CCCC3(C)C)C)(C)C

Isomeric SMILES

CC1=CCCC(C1/C=C/C(=O)CC2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])CC(=O)/C=C/C3C(=CCCC3(C)C)C)(C)C

InChI

InChI=1S/C34H42O6/c1-21-9-7-17-33(3,4)28(21)15-12-24(35)19-23-11-14-26(31(37)38)30(32(39)40)27(23)20-25(36)13-16-29-22(2)10-8-18-34(29,5)6/h9-16,28-29H,7-8,17-20H2,1-6H3,(H,37,38)(H,39,40)/p-2/b15-12+,16-13+