4-[4-(2-hydroxyphenyl)carbonyl-3-oxidanyl-phenoxy]butane-1,3-disulfonic acid

Systemtic Name: 4-[4-(2-hydroxyphenyl)carbonyl-3-oxidanyl-phenoxy]butane-1,3-disulfonic acid Openeye Name: 4-[3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]butane-1,3-disulfonic acid CAS Name: 4-[3-hydroxy-4-[(2-hydroxyphenyl)-oxomethyl]phenoxy]butane-1,3-disulfonic acid IUPAC Name: 4-[3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]butane-1,3-disulfonic acid Traditional Name: 4-(3-hydroxy-4-salicyloyl-phenoxy)butane-1,3-disulfonic acid Formula: C17H18O10S2 MolecularWeight: 446.44882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=C(C=C(C=C2)OCC(CCS(=O)(=O)O)S(=O)(=O)O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=C(C=C(C=C2)OCC(CCS(=O)(=O)O)S(=O)(=O)O)O)O

InChI

InChI=1S/C17H18O10S2/c18-15-4-2-1-3-13(15)17(20)14-6-5-11(9-16(14)19)27-10-12(29(24,25)26)7-8-28(21,22)23/h1-6,9,12,18-19H,7-8,10H2,(H,21,22,23)(H,24,25,26)