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diethyl 2,12-dimethyl-7-oxidanylidene-2,12-diphenyl-tridecanedioate

diethyl 2,12-dimethyl-7-oxidanylidene-2,12-diphenyl-tridecanedioate

Systemtic Name:diethyl 2,12-dimethyl-7-oxidanylidene-2,12-diphenyl-tridecanedioate
Openeye Name:diethyl 2,12-dimethyl-7-oxo-2,12-diphenyl-tridecanedioate
CAS Name:2,12-dimethyl-7-oxo-2,12-diphenyltridecanedioic acid diethyl ester
IUPAC Name:diethyl 2,12-dimethyl-7-oxo-2,12-diphenyltridecanedioate
Traditional Name:7-keto-2,12-dimethyl-2,12-diphenyl-brassylic acid diethyl ester
Formula: C31H42O5
MolecularWeight: 494.66218
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C31H42O5/c1-5-35-28(33)30(3,25-17-9-7-10-18-25)23-15-13-21-27(32)22-14-16-24-31(4,29(34)36-6-2)26-19-11-8-12-20-26/h7-12,17-20H,5-6,13-16,21-24H2,1-4H3


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