2,4,4-trimethyl-5-oxidanylidene-5-(2-sulfooxyethoxy)pentanoic acid

Systemtic Name: 2,4,4-trimethyl-5-oxidanylidene-5-(2-sulfooxyethoxy)pentanoic acid Openeye Name: 2,4,4-trimethyl-5-oxo-5-(2-sulfooxyethoxy)pentanoic acid CAS Name: 2,4,4-trimethyl-5-oxo-5-(2-sulfooxyethoxy)pentanoic acid IUPAC Name: 2,4,4-trimethyl-5-oxo-5-(2-sulfooxyethoxy)pentanoic acid Traditional Name: 5-keto-2,4,4-trimethyl-5-(2-sulfoxyethoxy)valeric acid Formula: C10H18O8S MolecularWeight: 298.31012

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)C(=O)OCCOS(=O)(=O)O)C(=O)O

Isomeric SMILES

CC(CC(C)(C)C(=O)OCCOS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C10H18O8S/c1-7(8(11)12)6-10(2,3)9(13)17-4-5-18-19(14,15)16/h7H,4-6H2,1-3H3,(H,11,12)(H,14,15,16)