sodium 3-[bis(oxidanyl)methoxy]-6-(phenylcarbonyl)benzene-1,2-disulfonate

Systemtic Name: sodium 3-[bis(oxidanyl)methoxy]-6-(phenylcarbonyl)benzene-1,2-disulfonate Openeye Name: sodium 3-benzoyl-6-(dihydroxymethoxy)benzene-1,2-disulfonate CAS Name: sodium 3-benzoyl-6-(dihydroxymethoxy)benzene-1,2-disulfonate IUPAC Name: sodium 3-benzoyl-6-(dihydroxymethoxy)benzene-1,2-disulfonate Traditional Name: sodium 3-benzoyl-6-(dihydroxymethoxy)benzene-1,2-disulfonate Formula: C14H10NaO10S2- MolecularWeight: 425.34297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O10S2.Na/c15-11(8-4-2-1-3-5-8)9-6-7-10(24-14(16)17)13(26(21,22)23)12(9)25(18,19)20;/h1-7,14,16-17H,(H,18,19,20)(H,21,22,23);/q;+1/p-2