3-[(E)-2-phenylethenyl]-6-(1,2,3-triazin-4-yl)benzene-1,2-disulfonic acid

Systemtic Name: 3-[(E)-2-phenylethenyl]-6-(1,2,3-triazin-4-yl)benzene-1,2-disulfonic acid Openeye Name: 3-[(E)-styryl]-6-(triazin-4-yl)benzene-1,2-disulfonic acid CAS Name: 3-[(E)-2-phenylethenyl]-6-(4-triazinyl)benzene-1,2-disulfonic acid IUPAC Name: 3-[(E)-2-phenylethenyl]-6-(triazin-4-yl)benzene-1,2-disulfonic acid Traditional Name: 3-[(E)-styryl]-6-(triazin-4-yl)benzene-1,2-disulfonic acid Formula: C17H13N3O6S2 MolecularWeight: 419.43162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=C(C(=C(C=C2)C3=NN=NC=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=C(C(=C(C=C2)C3=NN=NC=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H13N3O6S2/c21-27(22,23)16-13(7-6-12-4-2-1-3-5-12)8-9-14(17(16)28(24,25)26)15-10-11-18-20-19-15/h1-11H,(H,21,22,23)(H,24,25,26)/b7-6+