(5Z)-4,4-dimethyl-5-(1-oxidanylnon-3-yn-5-ylidene)cycloheptan-1-one

Systemtic Name: (5Z)-4,4-dimethyl-5-(1-oxidanylnon-3-yn-5-ylidene)cycloheptan-1-one Openeye Name: (5Z)-5-(1-butyl-5-hydroxy-pent-2-ynylidene)-4,4-dimethyl-cycloheptanone CAS Name: (5Z)-5-(1-hydroxynon-3-yn-5-ylidene)-4,4-dimethyl-1-cycloheptanone IUPAC Name: (5Z)-5-(1-hydroxynon-3-yn-5-ylidene)-4,4-dimethylcycloheptan-1-one Traditional Name: (5Z)-5-(1-butyl-5-hydroxy-pent-2-ynylidene)-4,4-dimethyl-cycloheptanone Formula: C18H28O2 MolecularWeight: 276.41372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C1CCC(=O)CCC1(C)C)C#CCCO

Isomeric SMILES

CCCC/C(=C/1\CCC(=O)CCC1(C)C)/C#CCCO

InChI

InChI=1S/C18H28O2/c1-4-5-8-15(9-6-7-14-19)17-11-10-16(20)12-13-18(17,2)3/h19H,4-5,7-8,10-14H2,1-3H3/b17-15-