4-methyl-3-oxidanyl-5-prop-2-enoxy-pentane-1-sulfonic acid

Systemtic Name: 4-methyl-3-oxidanyl-5-prop-2-enoxy-pentane-1-sulfonic acid Openeye Name: 5-allyloxy-3-hydroxy-4-methyl-pentane-1-sulfonic acid CAS Name: 3-hydroxy-4-methyl-5-prop-2-enoxy-1-pentanesulfonic acid IUPAC Name: 3-hydroxy-4-methyl-5-prop-2-enoxypentane-1-sulfonic acid Traditional Name: 5-allyloxy-3-hydroxy-4-methyl-pentane-1-sulfonic acid Formula: C9H18O5S MolecularWeight: 238.30122

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC=C)C(CCS(=O)(=O)O)O

Isomeric SMILES

CC(COCC=C)C(CCS(=O)(=O)O)O

InChI

InChI=1S/C9H18O5S/c1-3-5-14-7-8(2)9(10)4-6-15(11,12)13/h3,8-10H,1,4-7H2,2H3,(H,11,12,13)