5-azanyl-2-[2-(4-azanyl-2-sulfo-phenyl)-2-oxidanylidene-ethyl]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[2-(4-azanyl-2-sulfo-phenyl)-2-oxidanylidene-ethyl]benzenesulfonic acid Openeye Name: 5-amino-2-[2-(4-amino-2-sulfo-phenyl)-2-oxo-ethyl]benzenesulfonic acid CAS Name: 5-amino-2-[2-(4-amino-2-sulfophenyl)-2-oxoethyl]benzenesulfonic acid IUPAC Name: 5-amino-2-[2-(4-amino-2-sulfophenyl)-2-oxoethyl]benzenesulfonic acid Traditional Name: 5-amino-2-[2-(4-amino-2-sulfo-phenyl)-2-keto-ethyl]besylic acid Formula: C14H14N2O7S2 MolecularWeight: 386.40016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)CC(=O)C2=C(C=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)CC(=O)C2=C(C=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C14H14N2O7S2/c15-9-2-1-8(13(6-9)24(18,19)20)5-12(17)11-4-3-10(16)7-14(11)25(21,22)23/h1-4,6-7H,5,15-16H2,(H,18,19,20)(H,21,22,23)