(Z)-but-2-enedioic acid; 2-(2-phenylsulfanylphenyl)ethanamine

Systemtic Name: (Z)-but-2-enedioic acid; 2-(2-phenylsulfanylphenyl)ethanamine Openeye Name: maleic acid; 2-(2-phenylsulfanylphenyl)ethanamine CAS Name: (Z)-2-butenedioic acid; 2-[2-(phenylthio)phenyl]ethanamine IUPAC Name: (Z)-but-2-enedioic acid; 2-(2-phenylsulfanylphenyl)ethanamine Traditional Name: maleic acid; 2-[2-(phenylthio)phenyl]ethylamine Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2CCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2CCN.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C14H15NS.C4H4O4/c15-11-10-12-6-4-5-9-14(12)16-13-7-2-1-3-8-13;5-3(6)1-2-4(7)8/h1-9H,10-11,15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-