4-methylbenzenesulfonate; (2E)-2-nonylidenecyclononan-1-one

Systemtic Name: 4-methylbenzenesulfonate; (2E)-2-nonylidenecyclononan-1-one Openeye Name: 4-methylbenzenesulfonate; (2E)-2-nonylidenecyclononanone CAS Name: 4-methylbenzenesulfonate; (2E)-2-nonylidene-1-cyclononanone IUPAC Name: 4-methylbenzenesulfonate; (2E)-2-nonylidenecyclononan-1-one Traditional Name: (2E)-2-nonylidenecyclononanone tosylate Formula: C25H39O4S- MolecularWeight: 435.63976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=C1CCCCCCCC1=O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/1\CCCCCCCC1=O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C18H32O.C7H8O3S/c1-2-3-4-5-6-8-11-14-17-15-12-9-7-10-13-16-18(17)19;1-6-2-4-7(5-3-6)11(8,9)10/h14H,2-13,15-16H2,1H3;2-5H,1H3,(H,8,9,10)/p-1/b17-14+;