[2-(3-hydroxyphenyl)sulfanylphenyl]methyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [2-(3-hydroxyphenyl)sulfanylphenyl]methyl-dimethyl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; [2-(3-hydroxyphenyl)sulfanylphenyl]methyl-dimethyl-ammonium CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; [2-[(3-hydroxyphenyl)thio]phenyl]methyl-dimethylammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; [2-(3-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; [2-[(3-hydroxyphenyl)thio]benzyl]-dimethyl-ammonium Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1SC2=CC=CC(=C2)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1SC2=CC=CC(=C2)O.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C15H17NOS.C4H4O4/c1-16(2)11-12-6-3-4-9-15(12)18-14-8-5-7-13(17)10-14;5-3(6)1-2-4(7)8/h3-10,17H,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-