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

Systemtic Name: 2-[heptadecyl-[(2-prop-1-en-2-ylphenyl)methyl]amino]ethanesulfonic acid Openeye Name: 2-[heptadecyl-[(2-isopropenylphenyl)methyl]amino]ethanesulfonic acid CAS Name: 2-[heptadecyl-[[2-(1-methylethenyl)phenyl]methyl]amino]ethanesulfonic acid IUPAC Name: 2-[heptadecyl-[(2-prop-1-en-2-ylphenyl)methyl]amino]ethanesulfonic acid Traditional Name: 2-[heptadecyl-(2-isopropenylbenzyl)amino]ethanesulfonic acid Formula: C29H51NO3S MolecularWeight: 493.78514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H51NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-30(24-25-34(31,32)33)26-28-21-18-19-22-29(28)27(2)3/h18-19,21-22H,2,4-17,20,23-26H2,1,3H3,(H,31,32,33)