(Z)-but-2-enedioate; N,N-dimethyl-2-phenylsulfanyl-aniline; propane

Systemtic Name: (Z)-but-2-enedioate; N,N-dimethyl-2-phenylsulfanyl-aniline; propane Openeye Name: (Z)-but-2-enedioate; N,N-dimethyl-2-phenylsulfanyl-aniline; propane CAS Name: (Z)-2-butenedioate; N,N-dimethyl-2-(phenylthio)aniline; propane IUPAC Name: (Z)-but-2-enedioate; N,N-dimethyl-2-phenylsulfanylaniline; propane Traditional Name: dimethyl-[2-(phenylthio)phenyl]amine; n-propane; maleate Formula: C21H25NO4S-2 MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCC.CN(C)C1=CC=CC=C1SC2=CC=CC=C2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC.CN(C)C1=CC=CC=C1SC2=CC=CC=C2.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C14H15NS.C4H4O4.C3H8/c1-15(2)13-10-6-7-11-14(13)16-12-8-4-3-5-9-12;5-3(6)1-2-4(7)8;1-3-2/h3-11H,1-2H3;1-2H,(H,5,6)(H,7,8);3H2,1-2H3/p-2/b;2-1-;