sodium 2-methoxy-5-(4-methoxy-2-oxidanyl-5-sulfo-phenyl)carbonyl-4-oxidanyl-benzenesulfonic acid

Systemtic Name: sodium 2-methoxy-5-(4-methoxy-2-oxidanyl-5-sulfo-phenyl)carbonyl-4-oxidanyl-benzenesulfonic acid Openeye Name: sodium 4-hydroxy-5-(2-hydroxy-4-methoxy-5-sulfo-benzoyl)-2-methoxy-benzenesulfonic acid CAS Name: sodium 4-hydroxy-5-[(2-hydroxy-4-methoxy-5-sulfophenyl)-oxomethyl]-2-methoxybenzenesulfonic acid IUPAC Name: sodium 4-hydroxy-5-(2-hydroxy-4-methoxy-5-sulfobenzoyl)-2-methoxybenzenesulfonic acid Traditional Name: sodium 4-hydroxy-5-(2-hydroxy-4-methoxy-5-sulfo-benzoyl)-2-methoxy-besylic acid Formula: C15H14NaO11S2+ MolecularWeight: 457.38483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)O)C(=O)C2=CC(=C(C=C2O)OC)S(=O)(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

COC1=C(C=C(C(=C1)O)C(=O)C2=CC(=C(C=C2O)OC)S(=O)(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C15H14O11S2.Na/c1-25-11-5-9(16)7(3-13(11)27(19,20)21)15(18)8-4-14(28(22,23)24)12(26-2)6-10(8)17;/h3-6,16-17H,1-2H3,(H,19,20,21)(H,22,23,24);/q;+1