methyl (1Z,3Z,9Z)-4,9-dimethyl-13-oxidanylidene-cyclotrideca-1,3,9-trien-5,7-diyne-1-carboxylate

Systemtic Name: methyl (1Z,3Z,9Z)-4,9-dimethyl-13-oxidanylidene-cyclotrideca-1,3,9-trien-5,7-diyne-1-carboxylate Openeye Name: methyl (1Z,3Z,9Z)-4,9-dimethyl-13-oxo-cyclotrideca-1,3,9-trien-5,7-diyne-1-carboxylate CAS Name: (1Z,3Z,9Z)-4,9-dimethyl-13-oxo-1-cyclotrideca-1,3,9-trien-5,7-diynecarboxylic acid methyl ester IUPAC Name: methyl (1Z,3Z,9Z)-4,9-dimethyl-13-oxocyclotrideca-1,3,9-trien-5,7-diyne-1-carboxylate Traditional Name: (1Z,3Z,9Z)-13-keto-4,9-dimethyl-cyclotrideca-1,3,9-trien-5,7-diyne-1-carboxylic acid methyl ester Formula: C17H16O3 MolecularWeight: 268.30714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(=O)C(=CC=C(C#CC#C1)C)C(=O)OC

Isomeric SMILES

C/C/1=C/CCC(=O)/C(=C/C=C(\C#CC#C1)/C)/C(=O)OC

InChI

InChI=1S/C17H16O3/c1-13-7-4-5-8-14(2)11-12-15(17(19)20-3)16(18)10-6-9-13/h9,11-12H,6,10H2,1-3H3/b13-9-,14-11-,15-12-