(Z)-but-2-enedioic acid; 2-(2-dimethylaminoethyl)-5-heptylsulfanyl-benzene-1,4-diol

Systemtic Name: (Z)-but-2-enedioic acid; 2-(2-dimethylaminoethyl)-5-heptylsulfanyl-benzene-1,4-diol Openeye Name: 2-(2-dimethylaminoethyl)-5-heptylsulfanyl-benzene-1,4-diol; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-(2-dimethylaminoethyl)-5-(heptylthio)benzene-1,4-diol IUPAC Name: (Z)-but-2-enedioic acid; 2-(2-dimethylaminoethyl)-5-heptylsulfanylbenzene-1,4-diol Traditional Name: 2-(2-dimethylaminoethyl)-5-(heptylthio)hydroquinone; maleic acid Formula: C21H33NO6S MolecularWeight: 427.55482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=C(C=C(C(=C1)O)CCN(C)C)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCSC1=C(C=C(C(=C1)O)CCN(C)C)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C17H29NO2S.C4H4O4/c1-4-5-6-7-8-11-21-17-13-15(19)14(12-16(17)20)9-10-18(2)3;5-3(6)1-2-4(7)8/h12-13,19-20H,4-11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-