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

Systemtic Name: 2,4-diisothiocyanato-6-[(E)-2-phenylethenyl]benzene-1,3-disulfonic acid Openeye Name: 2,4-diisothiocyanato-6-[(E)-styryl]benzene-1,3-disulfonic acid CAS Name: 2,4-diisothiocyanato-6-[(E)-2-phenylethenyl]benzene-1,3-disulfonic acid IUPAC Name: 2,4-diisothiocyanato-6-[(E)-2-phenylethenyl]benzene-1,3-disulfonic acid Traditional Name: 2,4-diisothiocyanato-6-[(E)-styryl]benzene-1,3-disulfonic acid Formula: C16H10N2O6S4 MolecularWeight: 454.5204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=CC(=C(C(=C2S(=O)(=O)O)N=C=S)S(=O)(=O)O)N=C=S

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=CC(=C(C(=C2S(=O)(=O)O)N=C=S)S(=O)(=O)O)N=C=S

InChI

InChI=1S/C16H10N2O6S4/c19-27(20,21)15-12(7-6-11-4-2-1-3-5-11)8-13(17-9-25)16(28(22,23)24)14(15)18-10-26/h1-8H,(H,19,20,21)(H,22,23,24)/b7-6+