2-sulfooxyethyl 3-methylbenzenesulfinate

Systemtic Name: 2-sulfooxyethyl 3-methylbenzenesulfinate Openeye Name: 2-sulfooxyethyl 3-methylbenzenesulfinate CAS Name: 3-methylbenzenesulfinic acid 2-sulfooxyethyl ester IUPAC Name: 2-sulfooxyethyl 3-methylbenzenesulfinate Traditional Name: 3-methylbenzenesulfinic acid 2-sulfoxyethyl ester Formula: C9H12O6S2 MolecularWeight: 280.31798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)OCCOS(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)OCCOS(=O)(=O)O

InChI

InChI=1S/C9H12O6S2/c1-8-3-2-4-9(7-8)16(10)14-5-6-15-17(11,12)13/h2-4,7H,5-6H2,1H3,(H,11,12,13)