2-azanyl-2-[2-(4-heptylsulfanylphenyl)ethyl]propane-1,3-diol

Systemtic Name: 2-azanyl-2-[2-(4-heptylsulfanylphenyl)ethyl]propane-1,3-diol Openeye Name: 2-amino-2-[2-(4-heptylsulfanylphenyl)ethyl]propane-1,3-diol CAS Name: 2-amino-2-[2-[4-(heptylthio)phenyl]ethyl]propane-1,3-diol IUPAC Name: 2-amino-2-[2-(4-heptylsulfanylphenyl)ethyl]propane-1,3-diol Traditional Name: 2-amino-2-[2-[4-(heptylthio)phenyl]ethyl]propane-1,3-diol Formula: C18H31NO2S MolecularWeight: 325.50924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=CC=C(C=C1)CCC(CO)(CO)N

Isomeric SMILES

CCCCCCCSC1=CC=C(C=C1)CCC(CO)(CO)N

InChI

InChI=1S/C18H31NO2S/c1-2-3-4-5-6-13-22-17-9-7-16(8-10-17)11-12-18(19,14-20)15-21/h7-10,20-21H,2-6,11-15,19H2,1H3