5-azanyl-2-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]benzenesulfonic acid hydrochloride

Systemtic Name: 5-azanyl-2-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]benzenesulfonic acid hydrochloride Openeye Name: 5-amino-2-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]benzenesulfonic acid hydrochloride CAS Name: 5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid hydrochloride IUPAC Name: 5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid hydrochloride Traditional Name: 5-amino-2-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]besylic acid hydrochloride Formula: C14H13ClN2O8S2 MolecularWeight: 436.84462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O.Cl

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O.Cl

InChI

InChI=1S/C14H12N2O8S2.ClH/c15-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(16(17)18)8-14(10)26(22,23)24;/h1-8H,15H2,(H,19,20,21)(H,22,23,24);1H/b2-1+;