5-azanyl-2-[(Z)-2-(4-azanyl-2-sulfo-phenyl)ethenyl]benzenesulfonic acid; sodium

Systemtic Name: 5-azanyl-2-[(Z)-2-(4-azanyl-2-sulfo-phenyl)ethenyl]benzenesulfonic acid; sodium Openeye Name: 5-amino-2-[(Z)-2-(4-amino-2-sulfo-phenyl)vinyl]benzenesulfonic acid; sodium CAS Name: 5-amino-2-[(Z)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid; sodium IUPAC Name: 5-amino-2-[(Z)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid; sodium Traditional Name: 5-amino-2-[(Z)-2-(4-amino-2-sulfo-phenyl)vinyl]besylic acid; sodium Formula: C14H14N2NaO6S2 MolecularWeight: 393.39053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)/C=C\C2=C(C=C(C=C2)N)S(=O)(=O)O.[Na]

InChI

InChI=1S/C14H14N2O6S2.Na/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22;/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22);/b2-1-;