1-[4-azanyl-3-(2-methyl-2-oxidanyl-propyl)sulfanyl-phenyl]hexadecan-1-one

Systemtic Name: 1-[4-azanyl-3-(2-methyl-2-oxidanyl-propyl)sulfanyl-phenyl]hexadecan-1-one Openeye Name: 1-[4-amino-3-(2-hydroxy-2-methyl-propyl)sulfanyl-phenyl]hexadecan-1-one CAS Name: 1-[4-amino-3-[(2-hydroxy-2-methylpropyl)thio]phenyl]-1-hexadecanone IUPAC Name: 1-[4-amino-3-(2-hydroxy-2-methylpropyl)sulfanylphenyl]hexadecan-1-one Traditional Name: 1-[4-amino-3-[(2-hydroxy-2-methyl-propyl)thio]phenyl]hexadecan-1-one Formula: C26H45NO2S MolecularWeight: 435.706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C1=CC(=C(C=C1)N)SCC(C)(C)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C1=CC(=C(C=C1)N)SCC(C)(C)O

InChI

InChI=1S/C26H45NO2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)22-18-19-23(27)25(20-22)30-21-26(2,3)29/h18-20,29H,4-17,21,27H2,1-3H3