1-methyl-4-prop-1-en-2-yl-cyclohexene; (9E,11E,13E)-octadeca-9,11,13-trienoic acid

Systemtic Name: 1-methyl-4-prop-1-en-2-yl-cyclohexene; (9E,11E,13E)-octadeca-9,11,13-trienoic acid Openeye Name: 4-isopropenyl-1-methyl-cyclohexene; (9E,11E,13E)-octadeca-9,11,13-trienoic acid CAS Name: 1-methyl-4-(1-methylethenyl)cyclohexene; (9E,11E,13E)-octadeca-9,11,13-trienoic acid IUPAC Name: 1-methyl-4-prop-1-en-2-ylcyclohexene; (9E,11E,13E)-octadeca-9,11,13-trienoic acid Traditional Name: 4-isopropenyl-1-methyl-cyclohexene; (9E,11E,13E)-octadeca-9,11,13-trienoic acid Formula: C28H46O2 MolecularWeight: 414.66364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC=CC=CCCCCCCCC(=O)O.CC1=CCC(CC1)C(=C)C

Isomeric SMILES

CCCC/C=C/C=C/C=C/CCCCCCCC(=O)O.CC1=CCC(CC1)C(=C)C

InChI

InChI=1S/C18H30O2.C10H16/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-8(2)10-6-4-9(3)5-7-10/h5-10H,2-4,11-17H2,1H3,(H,19,20);4,10H,1,5-7H2,2-3H3/b6-5+,8-7+,10-9+;