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

Systemtic Name: 2-[heptadecyl-(2-methyl-1-phenyl-prop-2-enyl)amino]ethanesulfonic acid Openeye Name: 2-[heptadecyl-(2-methyl-1-phenyl-allyl)amino]ethanesulfonic acid CAS Name: 2-[heptadecyl-(2-methyl-1-phenylprop-2-enyl)amino]ethanesulfonic acid IUPAC Name: 2-[heptadecyl-(2-methyl-1-phenylprop-2-enyl)amino]ethanesulfonic acid Traditional Name: 2-[heptadecyl-(2-methyl-1-phenyl-allyl)amino]ethanesulfonic acid Formula: C29H51NO3S MolecularWeight: 493.78514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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