(3-methylsulfinyl-5-octadecoxy-phenyl)carbamic acid

Systemtic Name: (3-methylsulfinyl-5-octadecoxy-phenyl)carbamic acid Openeye Name: (3-methylsulfinyl-5-octadecoxy-phenyl)carbamic acid CAS Name: (3-methylsulfinyl-5-octadecoxyphenyl)carbamic acid IUPAC Name: (3-methylsulfinyl-5-octadecoxyphenyl)carbamic acid Traditional Name: (3-methylsulfinyl-5-stearyloxy-phenyl)carbamic acid Formula: C26H45NO4S MolecularWeight: 467.7048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)NC(=O)O)S(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)NC(=O)O)S(=O)C

InChI

InChI=1S/C26H45NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31-24-20-23(27-26(28)29)21-25(22-24)32(2)30/h20-22,27H,3-19H2,1-2H3,(H,28,29)