1-[4-azanyl-3-(2-hydroxyethylsulfanyl)phenyl]octadecan-1-one

Systemtic Name: 1-[4-azanyl-3-(2-hydroxyethylsulfanyl)phenyl]octadecan-1-one Openeye Name: 1-[4-amino-3-(2-hydroxyethylsulfanyl)phenyl]octadecan-1-one CAS Name: 1-[4-amino-3-(2-hydroxyethylthio)phenyl]-1-octadecanone IUPAC Name: 1-[4-amino-3-(2-hydroxyethylsulfanyl)phenyl]octadecan-1-one Traditional Name: 1-[4-amino-3-(2-hydroxyethylthio)phenyl]octadecan-1-one Formula: C26H45NO2S MolecularWeight: 435.706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=CC(=C(C=C1)N)SCCO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=CC(=C(C=C1)N)SCCO

InChI

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