2-sulfooxyethyl 3,4-dimethylbenzenesulfinate

Systemtic Name: 2-sulfooxyethyl 3,4-dimethylbenzenesulfinate Openeye Name: 2-sulfooxyethyl 3,4-dimethylbenzenesulfinate CAS Name: 3,4-dimethylbenzenesulfinic acid 2-sulfooxyethyl ester IUPAC Name: 2-sulfooxyethyl 3,4-dimethylbenzenesulfinate Traditional Name: 3,4-dimethylbenzenesulfinic acid 2-sulfoxyethyl ester Formula: C10H14O6S2 MolecularWeight: 294.34456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O6S2/c1-8-3-4-10(7-9(8)2)17(11)15-5-6-16-18(12,13)14/h3-4,7H,5-6H2,1-2H3,(H,12,13,14)