(Z)-but-2-enedioate; (3E)-3-(2-cyclopropylthioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine

Systemtic Name: (Z)-but-2-enedioate; (3E)-3-(2-cyclopropylthioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine Openeye Name: (Z)-but-2-enedioate; (3E)-3-(2-cyclopropylthioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine CAS Name: (Z)-2-butenedioate; (3E)-3-(2-cyclopropyl-9-thioxanthenylidene)-N,N-dimethyl-1-propanamine IUPAC Name: (Z)-but-2-enedioate; (3E)-3-(2-cyclopropylthioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine Traditional Name: [(3E)-3-(2-cyclopropylthioxanthen-9-ylidene)propyl]-dimethyl-amine maleate Formula: C25H25NO4S-2 MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)C4CC4.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)C4CC4.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C21H23NS.C4H4O4/c1-22(2)13-5-7-17-18-6-3-4-8-20(18)23-21-12-11-16(14-19(17)21)15-9-10-15;5-3(6)1-2-4(7)8/h3-4,6-8,11-12,14-15H,5,9-10,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-2/b17-7+;2-1-