4-methylbenzenesulfonate; (9E,12E,15E)-octadeca-9,12,15-trienoate

Systemtic Name: 4-methylbenzenesulfonate; (9E,12E,15E)-octadeca-9,12,15-trienoate Openeye Name: 4-methylbenzenesulfonate; (9E,12E,15E)-octadeca-9,12,15-trienoate CAS Name: 4-methylbenzenesulfonate; (9E,12E,15E)-octadeca-9,12,15-trienoate IUPAC Name: 4-methylbenzenesulfonate; (9E,12E,15E)-octadeca-9,12,15-trienoate Traditional Name: (9E,12E,15E)-octadeca-9,12,15-trienoate tosylate Formula: C25H36O5S-2 MolecularWeight: 448.61534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30O2.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);2-5H,1H3,(H,8,9,10)/p-2/b4-3+,7-6+,10-9+;