2-[[[4-[2-(4-azanyl-2-sulfo-phenyl)ethenyl]-3-sulfo-phenyl]amino]methyl]-3,5-bis(oxidanyl)benzoic acid; sodium

Systemtic Name: 2-[[[4-[2-(4-azanyl-2-sulfo-phenyl)ethenyl]-3-sulfo-phenyl]amino]methyl]-3,5-bis(oxidanyl)benzoic acid; sodium Openeye Name: 2-[[4-[2-(4-amino-2-sulfo-phenyl)vinyl]-3-sulfo-anilino]methyl]-3,5-dihydroxy-benzoic acid; sodium CAS Name: 2-[[4-[2-(4-amino-2-sulfophenyl)ethenyl]-3-sulfoanilino]methyl]-3,5-dihydroxybenzoic acid; sodium IUPAC Name: 2-[[4-[2-(4-amino-2-sulfophenyl)ethenyl]-3-sulfoanilino]methyl]-3,5-dihydroxybenzoic acid; sodium Traditional Name: 2-[[4-[2-(4-amino-2-sulfo-phenyl)vinyl]-3-sulfo-anilino]methyl]-3,5-dihydroxy-benzoic acid; sodium Formula: C22H20N2NaO10S2 MolecularWeight: 559.52137

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)NCC3=C(C=C(C=C3C(=O)O)O)O)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)NCC3=C(C=C(C=C3C(=O)O)O)O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C22H20N2O10S2.Na/c23-14-5-3-12(20(7-14)35(29,30)31)1-2-13-4-6-15(8-21(13)36(32,33)34)24-11-18-17(22(27)28)9-16(25)10-19(18)26;/h1-10,24-26H,11,23H2,(H,27,28)(H,29,30,31)(H,32,33,34);