2-[(E)-2-(2-sulfo-4-thiocyanato-phenyl)ethenyl]-5-thiocyanato-benzenesulfonic acid

Systemtic Name: 2-[(E)-2-(2-sulfo-4-thiocyanato-phenyl)ethenyl]-5-thiocyanato-benzenesulfonic acid Openeye Name: 2-[(E)-2-(2-sulfo-4-thiocyanato-phenyl)vinyl]-5-thiocyanato-benzenesulfonic acid CAS Name: 2-[(E)-2-(2-sulfo-4-thiocyanatophenyl)ethenyl]-5-thiocyanatobenzenesulfonic acid IUPAC Name: 2-[(E)-2-(2-sulfo-4-thiocyanatophenyl)ethenyl]-5-thiocyanatobenzenesulfonic acid Traditional Name: 2-[(E)-2-(2-sulfo-4-thiocyanato-phenyl)vinyl]-5-thiocyanato-besylic acid Formula: C16H10N2O6S4 MolecularWeight: 454.5204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC#N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)SC#N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1SC#N)S(=O)(=O)O)/C=C/C2=C(C=C(C=C2)SC#N)S(=O)(=O)O

InChI

InChI=1S/C16H10N2O6S4/c17-9-25-13-5-3-11(15(7-13)27(19,20)21)1-2-12-4-6-14(26-10-18)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b2-1+