12-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]dodeca-2,7-diynyl carbamate

Systemtic Name: 12-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]dodeca-2,7-diynyl carbamate Openeye Name: 12-(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)dodeca-2,7-diynyl carbamate CAS Name: carbamic acid 12-(4,5-dimethoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)dodeca-2,7-diynyl ester IUPAC Name: 12-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)dodeca-2,7-diynyl carbamate Traditional Name: carbamic acid 12-(3,6-diketo-4,5-dimethoxy-2-methyl-cyclohexa-1,4-dien-1-yl)dodeca-2,7-diynyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCC#CCCCC#CCOC(=O)N

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCC#CCCCC#CCOC(=O)N

InChI

InChI=1S/C22H27NO6/c1-16-17(19(25)21(28-3)20(27-2)18(16)24)14-12-10-8-6-4-5-7-9-11-13-15-29-22(23)26/h5,7-10,12,14-15H2,1-3H3,(H2,23,26)