ethanedioic acid; 4-[2-(5-methylsulfanylpentan-2-ylamino)-1-oxidanyl-ethyl]benzene-1,2-diol

Systemtic Name: ethanedioic acid; 4-[2-(5-methylsulfanylpentan-2-ylamino)-1-oxidanyl-ethyl]benzene-1,2-diol Openeye Name: 4-[1-hydroxy-2-[(1-methyl-4-methylsulfanyl-butyl)amino]ethyl]benzene-1,2-diol; oxalic acid CAS Name: 4-[1-hydroxy-2-[5-(methylthio)pentan-2-ylamino]ethyl]benzene-1,2-diol; oxalic acid IUPAC Name: 4-[1-hydroxy-2-(5-methylsulfanylpentan-2-ylamino)ethyl]benzene-1,2-diol; oxalic acid Traditional Name: 4-[1-hydroxy-2-[[1-methyl-4-(methylthio)butyl]amino]ethyl]pyrocatechol; oxalic acid Formula: C16H25NO7S MolecularWeight: 375.4372

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCSC)NCC(C1=CC(=C(C=C1)O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CCCSC)NCC(C1=CC(=C(C=C1)O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H23NO3S.C2H2O4/c1-10(4-3-7-19-2)15-9-14(18)11-5-6-12(16)13(17)8-11;3-1(4)2(5)6/h5-6,8,10,14-18H,3-4,7,9H2,1-2H3;(H,3,4)(H,5,6)