2-[heptyl-(2-methyl-1-phenyl-prop-2-enyl)amino]ethanesulfonic acid

Systemtic Name: 2-[heptyl-(2-methyl-1-phenyl-prop-2-enyl)amino]ethanesulfonic acid Openeye Name: 2-[heptyl-(2-methyl-1-phenyl-allyl)amino]ethanesulfonic acid CAS Name: 2-[heptyl-(2-methyl-1-phenylprop-2-enyl)amino]ethanesulfonic acid IUPAC Name: 2-[heptyl-(2-methyl-1-phenylprop-2-enyl)amino]ethanesulfonic acid Traditional Name: 2-[heptyl-(2-methyl-1-phenyl-allyl)amino]ethanesulfonic acid Formula: C19H31NO3S MolecularWeight: 353.51934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCS(=O)(=O)O)C(C1=CC=CC=C1)C(=C)C

Isomeric SMILES

CCCCCCCN(CCS(=O)(=O)O)C(C1=CC=CC=C1)C(=C)C

InChI

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