disodium; 4-methylbenzenesulfonic acid; phenol; sulfate

Systemtic Name: disodium; 4-methylbenzenesulfonic acid; phenol; sulfate Openeye Name: disodium; 4-methylbenzenesulfonic acid; phenol; sulfate CAS Name: disodium; 4-methylbenzenesulfonic acid; phenol; sulfate IUPAC Name: disodium; 4-methylbenzenesulfonic acid; phenol; sulfate Traditional Name: disodium; phenol; tosylic acid; sulfate Formula: C13H14Na2O8S2 MolecularWeight: 408.355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H6O.2Na.H2O4S/c1-6-2-4-7(5-3-6)11(8,9)10;7-6-4-2-1-3-5-6;;;1-5(2,3)4/h2-5H,1H3,(H,8,9,10);1-5,7H;;;(H2,1,2,3,4)/q;;2*+1;/p-2