2-sulfooxyethyl 2,4,5-trimethylbenzenesulfinate

Systemtic Name: 2-sulfooxyethyl 2,4,5-trimethylbenzenesulfinate Openeye Name: 2-sulfooxyethyl 2,4,5-trimethylbenzenesulfinate CAS Name: 2,4,5-trimethylbenzenesulfinic acid 2-sulfooxyethyl ester IUPAC Name: 2-sulfooxyethyl 2,4,5-trimethylbenzenesulfinate Traditional Name: 2,4,5-trimethylbenzenesulfinic acid 2-sulfoxyethyl ester Formula: C11H16O6S2 MolecularWeight: 308.37114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)OCCOS(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)OCCOS(=O)(=O)O)C

InChI

InChI=1S/C11H16O6S2/c1-8-6-10(3)11(7-9(8)2)18(12)16-4-5-17-19(13,14)15/h6-7H,4-5H2,1-3H3,(H,13,14,15)