2-[heptyl(1-phenylprop-2-enyl)amino]ethanesulfonic acid

Systemtic Name: 2-[heptyl(1-phenylprop-2-enyl)amino]ethanesulfonic acid Openeye Name: 2-[heptyl(1-phenylallyl)amino]ethanesulfonic acid CAS Name: 2-[heptyl(1-phenylprop-2-enyl)amino]ethanesulfonic acid IUPAC Name: 2-[heptyl(1-phenylprop-2-enyl)amino]ethanesulfonic acid Traditional Name: 2-[heptyl(1-phenylallyl)amino]ethanesulfonic acid Formula: C18H29NO3S MolecularWeight: 339.49276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO3S/c1-3-5-6-7-11-14-19(15-16-23(20,21)22)18(4-2)17-12-9-8-10-13-17/h4,8-10,12-13,18H,2-3,5-7,11,14-16H2,1H3,(H,20,21,22)