2-[(Z)-2-(4-aminophenyl)-1-sulfo-ethenyl]-5-nitro-benzenesulfonic acid

Systemtic Name: 2-[(Z)-2-(4-aminophenyl)-1-sulfo-ethenyl]-5-nitro-benzenesulfonic acid Openeye Name: 2-[(Z)-2-(4-aminophenyl)-1-sulfo-vinyl]-5-nitro-benzenesulfonic acid CAS Name: 2-[(Z)-2-(4-aminophenyl)-1-sulfoethenyl]-5-nitrobenzenesulfonic acid IUPAC Name: 2-[(Z)-2-(4-aminophenyl)-1-sulfoethenyl]-5-nitrobenzenesulfonic acid Traditional Name: 2-[(Z)-2-(4-aminophenyl)-1-sulfo-vinyl]-5-nitro-besylic acid Formula: C14H12N2O8S2 MolecularWeight: 400.38368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1/C=C(/C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)\S(=O)(=O)O)N

InChI

InChI=1S/C14H12N2O8S2/c15-10-3-1-9(2-4-10)7-13(25(19,20)21)12-6-5-11(16(17)18)8-14(12)26(22,23)24/h1-8H,15H2,(H,19,20,21)(H,22,23,24)/b13-7-