(Z)-but-2-enedioate; 2-phenylsulfanylaniline; propane

Systemtic Name: (Z)-but-2-enedioate; 2-phenylsulfanylaniline; propane Openeye Name: (Z)-but-2-enedioate; 2-phenylsulfanylaniline; propane CAS Name: (Z)-2-butenedioate; 2-(phenylthio)aniline; propane IUPAC Name: (Z)-but-2-enedioate; 2-phenylsulfanylaniline; propane Traditional Name: n-propane; [2-(phenylthio)phenyl]amine; maleate Formula: C19H21NO4S-2 MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CCC.C1=CC=C(C=C1)SC2=CC=CC=C2N.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC.C1=CC=C(C=C1)SC2=CC=CC=C2N.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C12H11NS.C4H4O4.C3H8/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;5-3(6)1-2-4(7)8;1-3-2/h1-9H,13H2;1-2H,(H,5,6)(H,7,8);3H2,1-2H3/p-2/b;2-1-;