[4-azanyl-3-(2-oxidanyl-2-phenyl-propyl)sulfanyl-phenyl]methyl octadecanoate

Systemtic Name: [4-azanyl-3-(2-oxidanyl-2-phenyl-propyl)sulfanyl-phenyl]methyl octadecanoate Openeye Name: [4-amino-3-(2-hydroxy-2-phenyl-propyl)sulfanyl-phenyl]methyl octadecanoate CAS Name: octadecanoic acid [4-amino-3-[(2-hydroxy-2-phenylpropyl)thio]phenyl]methyl ester IUPAC Name: [4-amino-3-(2-hydroxy-2-phenylpropyl)sulfanylphenyl]methyl octadecanoate Traditional Name: stearic acid [4-amino-3-[(2-hydroxy-2-phenyl-propyl)thio]benzyl] ester Formula: C34H53NO3S MolecularWeight: 555.85452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(=C(C=C1)N)SCC(C)(C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(=C(C=C1)N)SCC(C)(C2=CC=CC=C2)O

InChI

InChI=1S/C34H53NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-33(36)38-27-29-24-25-31(35)32(26-29)39-28-34(2,37)30-21-18-17-19-22-30/h17-19,21-22,24-26,37H,3-16,20,23,27-28,35H2,1-2H3