2-[(2-ethenylphenyl)methyl-heptyl-amino]ethanesulfonic acid

Systemtic Name: 2-[(2-ethenylphenyl)methyl-heptyl-amino]ethanesulfonic acid Openeye Name: 2-[heptyl-[(2-vinylphenyl)methyl]amino]ethanesulfonic acid CAS Name: 2-[(2-ethenylphenyl)methyl-heptylamino]ethanesulfonic acid IUPAC Name: 2-[(2-ethenylphenyl)methyl-heptylamino]ethanesulfonic acid Traditional Name: 2-[heptyl-(2-vinylbenzyl)amino]ethanesulfonic acid Formula: C18H29NO3S MolecularWeight: 339.49276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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