2-[heptyl-[(2-prop-1-en-2-ylphenyl)methyl]amino]ethanesulfonic acid

Systemtic Name: 2-[heptyl-[(2-prop-1-en-2-ylphenyl)methyl]amino]ethanesulfonic acid Openeye Name: 2-[heptyl-[(2-isopropenylphenyl)methyl]amino]ethanesulfonic acid CAS Name: 2-[heptyl-[[2-(1-methylethenyl)phenyl]methyl]amino]ethanesulfonic acid IUPAC Name: 2-[heptyl-[(2-prop-1-en-2-ylphenyl)methyl]amino]ethanesulfonic acid Traditional Name: 2-[heptyl-(2-isopropenylbenzyl)amino]ethanesulfonic acid Formula: C19H31NO3S MolecularWeight: 353.51934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCS(=O)(=O)O)CC1=CC=CC=C1C(=C)C

Isomeric SMILES

CCCCCCCN(CCS(=O)(=O)O)CC1=CC=CC=C1C(=C)C

InChI

InChI=1S/C19H31NO3S/c1-4-5-6-7-10-13-20(14-15-24(21,22)23)16-18-11-8-9-12-19(18)17(2)3/h8-9,11-12H,2,4-7,10,13-16H2,1,3H3,(H,21,22,23)