sodium; methanal; 4-methylbenzenesulfonate; phenol

Systemtic Name: sodium; methanal; 4-methylbenzenesulfonate; phenol Openeye Name: sodium; formaldehyde; 4-methylbenzenesulfonate; phenol CAS Name: sodium; formaldehyde; 4-methylbenzenesulfonate; phenol IUPAC Name: sodium; formaldehyde; 4-methylbenzenesulfonate; phenol Traditional Name: sodium; formaldehyde; phenol; tosylate Formula: C14H15NaO5S MolecularWeight: 318.32067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C=O.C1=CC=C(C=C1)O.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C=O.C1=CC=C(C=C1)O.[Na+]

InChI

InChI=1S/C7H8O3S.C6H6O.CH2O.Na/c1-6-2-4-7(5-3-6)11(8,9)10;7-6-4-2-1-3-5-6;1-2;/h2-5H,1H3,(H,8,9,10);1-5,7H;1H2;/q;;;+1/p-1