(Z)-but-2-enedioate; 4-[(2-phenylsulfanylphenyl)methyl]morpholine

Systemtic Name: (Z)-but-2-enedioate; 4-[(2-phenylsulfanylphenyl)methyl]morpholine Openeye Name: (Z)-but-2-enedioate; 4-[(2-phenylsulfanylphenyl)methyl]morpholine CAS Name: (Z)-2-butenedioate; 4-[[2-(phenylthio)phenyl]methyl]morpholine IUPAC Name: (Z)-but-2-enedioate; 4-[(2-phenylsulfanylphenyl)methyl]morpholine Traditional Name: 4-[2-(phenylthio)benzyl]morpholine maleate Formula: C21H21NO5S-2 MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=CC=C2SC3=CC=CC=C3.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1COCCN1CC2=CC=CC=C2SC3=CC=CC=C3.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C17H19NOS.C4H4O4/c1-2-7-16(8-3-1)20-17-9-5-4-6-15(17)14-18-10-12-19-13-11-18;5-3(6)1-2-4(7)8/h1-9H,10-14H2;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-