benzenesulfinate; 4-methylbenzenesulfinic acid

Systemtic Name: benzenesulfinate; 4-methylbenzenesulfinic acid Openeye Name: benzenesulfinate; 4-methylbenzenesulfinic acid CAS Name: benzenesulfinate; 4-methylbenzenesulfinic acid IUPAC Name: benzenesulfinate; 4-methylbenzenesulfinic acid Traditional Name: benzenesulfinate; 4-methylbenzenesulfinic acid Formula: C13H13O4S2- MolecularWeight: 297.36992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O2S.C6H6O2S/c1-6-2-4-7(5-3-6)10(8)9;7-9(8)6-4-2-1-3-5-6/h2-5H,1H3,(H,8,9);1-5H,(H,7,8)/p-1