2-azanyl-3-oxidanyl-propanoic acid; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole

Systemtic Name: 2-azanyl-3-oxidanyl-propanoic acid; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole Openeye Name: 2-amino-3-hydroxy-propanoic acid; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole CAS Name: 2-amino-3-hydroxypropanoic acid; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole IUPAC Name: 2-amino-3-hydroxypropanoic acid; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole Traditional Name: 2-amino-3-hydroxy-propionic acid; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole Formula: C21H35NO6S MolecularWeight: 429.5707

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.C(C(C(=O)O)N)O

Isomeric SMILES

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.C(C(C(=O)O)N)O

InChI

InChI=1S/C18H28O3S.C3H7NO3/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17;4-2(1-5)3(6)7/h9-10,13,15H,3-8,11-12,14H2,1-2H3;2,5H,1,4H2,(H,6,7)