sodium; 4-(4-hydroxyphenyl)sulfonylphenolate; methanal; 4-oxidanylbenzenesulfonic acid

Systemtic Name: sodium; 4-(4-hydroxyphenyl)sulfonylphenolate; methanal; 4-oxidanylbenzenesulfonic acid Openeye Name: sodium; formaldehyde; 4-hydroxybenzenesulfonic acid; 4-(4-hydroxyphenyl)sulfonylphenolate CAS Name: sodium; formaldehyde; 4-hydroxybenzenesulfonic acid; 4-(4-hydroxyphenyl)sulfonylphenolate IUPAC Name: sodium; formaldehyde; 4-hydroxybenzenesulfonic acid; 4-(4-hydroxyphenyl)sulfonylphenolate Traditional Name: sodium; formaldehyde; 4-hydroxybesylic acid; 4-(4-hydroxyphenyl)sulfonylphenolate Formula: C19H17NaO9S2 MolecularWeight: 476.45265

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10O4S.C6H6O4S.CH2O.Na/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;7-5-1-3-6(4-2-5)11(8,9)10;1-2;/h1-8,13-14H;1-4,7H,(H,8,9,10);1H2;/q;;;+1/p-1