diethyl 2,12-dimethyl-2,12-bis[4-(2-methylpropyl)phenyl]-7-oxidanylidene-tridecanedioate

Systemtic Name: diethyl 2,12-dimethyl-2,12-bis[4-(2-methylpropyl)phenyl]-7-oxidanylidene-tridecanedioate Openeye Name: diethyl 2,12-bis(4-isobutylphenyl)-2,12-dimethyl-7-oxo-tridecanedioate CAS Name: 2,12-dimethyl-2,12-bis[4-(2-methylpropyl)phenyl]-7-oxotridecanedioic acid diethyl ester IUPAC Name: diethyl 2,12-dimethyl-2,12-bis[4-(2-methylpropyl)phenyl]-7-oxotridecanedioate Traditional Name: 2,12-bis(4-isobutylphenyl)-7-keto-2,12-dimethyl-brassylic acid diethyl ester Formula: C39H58O5 MolecularWeight: 606.87482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CCCCC(=O)CCCCC(C)(C1=CC=C(C=C1)CC(C)C)C(=O)OCC)C2=CC=C(C=C2)CC(C)C

Isomeric SMILES

CCOC(=O)C(C)(CCCCC(=O)CCCCC(C)(C1=CC=C(C=C1)CC(C)C)C(=O)OCC)C2=CC=C(C=C2)CC(C)C

InChI

InChI=1S/C39H58O5/c1-9-43-36(41)38(7,33-21-17-31(18-22-33)27-29(3)4)25-13-11-15-35(40)16-12-14-26-39(8,37(42)44-10-2)34-23-19-32(20-24-34)28-30(5)6/h17-24,29-30H,9-16,25-28H2,1-8H3