(2S)-4-methylsulfanyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)-1,1-diphenyl-butan-1-ol

Systemtic Name: (2S)-4-methylsulfanyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)-1,1-diphenyl-butan-1-ol Openeye Name: (2S)-4-methylsulfanyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)-1,1-diphenyl-butan-1-ol CAS Name: (2S)-4-(methylthio)-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)-1,1-diphenyl-1-butanol IUPAC Name: (2S)-4-methylsulfanyl-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)-1,1-diphenylbutan-1-ol Traditional Name: (2S)-4-(methylthio)-2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)-1,1-diphenyl-butan-1-ol Formula: C29H43NO6S MolecularWeight: 533.71982

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N3CCOCCOCCOCCOCCOCC3

Isomeric SMILES

CSCC[C@@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N3CCOCCOCCOCCOCCOCC3

InChI

InChI=1S/C29H43NO6S/c1-37-25-12-28(29(31,26-8-4-2-5-9-26)27-10-6-3-7-11-27)30-13-15-32-17-19-34-21-23-36-24-22-35-20-18-33-16-14-30/h2-11,28,31H,12-25H2,1H3/t28-/m0/s1