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

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

Systemtic Name:2-[heptadecyl(1-phenylprop-2-enyl)amino]ethanesulfonic acid
Openeye Name:2-[heptadecyl(1-phenylallyl)amino]ethanesulfonic acid
CAS Name:2-[heptadecyl(1-phenylprop-2-enyl)amino]ethanesulfonic acid
IUPAC Name:2-[heptadecyl(1-phenylprop-2-enyl)amino]ethanesulfonic acid
Traditional Name:2-[heptadecyl(1-phenylallyl)amino]ethanesulfonic acid
Formula: C28H49NO3S
MolecularWeight: 479.75856
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C28H49NO3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-29(25-26-33(30,31)32)28(4-2)27-22-19-18-20-23-27/h4,18-20,22-23,28H,2-3,5-17,21,24-26H2,1H3,(H,30,31,32)


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