4-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]azaniumyl]butane-1-sulfonate Openeye Name: 4-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ammonio]butane-1-sulfonate CAS Name: 4-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ammonio]-1-butanesulfonate IUPAC Name: 4-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]azaniumyl]butane-1-sulfonate Traditional Name: 4-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ammonio]butane-1-sulfonate Formula: C19H35NO3S MolecularWeight: 357.5511

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CC[NH2+]CCCCS(=O)(=O)[O-])C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/C[NH2+]CCCCS(=O)(=O)[O-])/C)/C)C

InChI

InChI=1S/C19H35NO3S/c1-17(2)9-7-10-18(3)11-8-12-19(4)13-15-20-14-5-6-16-24(21,22)23/h9,11,13,20H,5-8,10,12,14-16H2,1-4H3,(H,21,22,23)/b18-11+,19-13+