disodium; 4-(4-hydroxyphenyl)sulfonylphenol; methanal; 2-oxidanyl-5-[2-(4-oxidanyl-3-sulfonato-phenyl)propan-2-yl]benzenesulfonate

Systemtic Name: disodium; 4-(4-hydroxyphenyl)sulfonylphenol; methanal; 2-oxidanyl-5-[2-(4-oxidanyl-3-sulfonato-phenyl)propan-2-yl]benzenesulfonate Openeye Name: disodium; formaldehyde; 2-hydroxy-5-[1-(4-hydroxy-3-sulfonato-phenyl)-1-methyl-ethyl]benzenesulfonate; 4-(4-hydroxyphenyl)sulfonylphenol CAS Name: disodium; formaldehyde; 2-hydroxy-5-[2-(4-hydroxy-3-sulfonatophenyl)propan-2-yl]benzenesulfonate; 4-(4-hydroxyphenyl)sulfonylphenol IUPAC Name: disodium; formaldehyde; 2-hydroxy-5-[2-(4-hydroxy-3-sulfonatophenyl)propan-2-yl]benzenesulfonate; 4-(4-hydroxyphenyl)sulfonylphenol Traditional Name: disodium; formaldehyde; 2-hydroxy-5-[1-(4-hydroxy-3-sulfonato-phenyl)-1-methyl-ethyl]besylate; 4-(4-hydroxyphenyl)sulfonylphenol Formula: C28H26Na2O13S3 MolecularWeight: 712.67278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C(C=C1)O)S(=O)(=O)[O-])C2=CC(=C(C=C2)O)S(=O)(=O)[O-].C=O.C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O.[Na+].[Na+]

Isomeric SMILES

CC(C)(C1=CC(=C(C=C1)O)S(=O)(=O)[O-])C2=CC(=C(C=C2)O)S(=O)(=O)[O-].C=O.C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O.[Na+].[Na+]

InChI

InChI=1S/C15H16O8S2.C12H10O4S.CH2O.2Na/c1-15(2,9-3-5-11(16)13(7-9)24(18,19)20)10-4-6-12(17)14(8-10)25(21,22)23;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;1-2;;/h3-8,16-17H,1-2H3,(H,18,19,20)(H,21,22,23);1-8,13-14H;1H2;;/q;;;2*+1/p-2