3,5-bis[(E)-2-phenylethenyl]-1,2,4-dithiazol-2-ium; dihydrogen phosphate

Systemtic Name: 3,5-bis[(E)-2-phenylethenyl]-1,2,4-dithiazol-2-ium; dihydrogen phosphate Openeye Name: 3,5-bis[(E)-styryl]-1,2,4-dithiazol-2-ium; dihydrogen phosphate CAS Name: 3,5-bis[(E)-2-phenylethenyl]-1,2,4-dithiazol-2-ium; dihydrogen phosphate IUPAC Name: 3,5-bis[(E)-2-phenylethenyl]-1,2,4-dithiazol-2-ium; dihydrogen phosphate Traditional Name: 3,5-bis[(E)-styryl]-1,2,4-dithiazol-2-ium; dihydrogen phosphate Formula: C18H16NO4PS2 MolecularWeight: 405.427701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=NC(=[S+]S2)C=CC3=CC=CC=C3.OP(=O)(O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=NC(=[S+]S2)/C=C/C3=CC=CC=C3.OP(=O)(O)[O-]

InChI

InChI=1S/C18H14NS2.H3O4P/c1-3-7-15(8-4-1)11-13-17-19-18(21-20-17)14-12-16-9-5-2-6-10-16;1-5(2,3)4/h1-14H;(H3,1,2,3,4)/q+1;/p-1/b13-11+,14-12+;