5-azanyl-2-[3-(4-azanyl-2-sulfo-phenyl)propa-1,2-dienyl]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[3-(4-azanyl-2-sulfo-phenyl)propa-1,2-dienyl]benzenesulfonic acid Openeye Name: 5-amino-2-[3-(4-amino-2-sulfo-phenyl)propa-1,2-dienyl]benzenesulfonic acid CAS Name: 5-amino-2-[3-(4-amino-2-sulfophenyl)propa-1,2-dienyl]benzenesulfonic acid IUPAC Name: 5-amino-2-[3-(4-amino-2-sulfophenyl)propa-1,2-dienyl]benzenesulfonic acid Traditional Name: 5-amino-2-[3-(4-amino-2-sulfo-phenyl)propa-1,2-dienyl]besylic acid Formula: C15H14N2O6S2 MolecularWeight: 382.41146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)C=C=CC2=C(C=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)C=C=CC2=C(C=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C15H14N2O6S2/c16-12-6-4-10(14(8-12)24(18,19)20)2-1-3-11-5-7-13(17)9-15(11)25(21,22)23/h2-9H,16-17H2,(H,18,19,20)(H,21,22,23)