2-[methyl-(6-octadecanoylnaphthalen-2-yl)amino]ethanesulfonic acid

Systemtic Name: 2-[methyl-(6-octadecanoylnaphthalen-2-yl)amino]ethanesulfonic acid Openeye Name: 2-[methyl-(6-octadecanoyl-2-naphthyl)amino]ethanesulfonic acid CAS Name: 2-[methyl-[6-(1-oxooctadecyl)-2-naphthalenyl]amino]ethanesulfonic acid IUPAC Name: 2-[methyl-(6-octadecanoylnaphthalen-2-yl)amino]ethanesulfonic acid Traditional Name: 2-[methyl-(6-stearoyl-2-naphthyl)amino]ethanesulfonic acid Formula: C31H49NO4S MolecularWeight: 531.79006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=CC2=C(C=C1)C=C(C=C2)N(C)CCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=CC2=C(C=C1)C=C(C=C2)N(C)CCS(=O)(=O)O

InChI

InChI=1S/C31H49NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(33)29-20-19-28-26-30(22-21-27(28)25-29)32(2)23-24-37(34,35)36/h19-22,25-26H,3-18,23-24H2,1-2H3,(H,34,35,36)