(3Z)-2-[2,3-bis(oxidanyl)-1-sulfanyl-propyl]-3-ethylidene-2-oxidanyl-heptanoic acid

Systemtic Name: (3Z)-2-[2,3-bis(oxidanyl)-1-sulfanyl-propyl]-3-ethylidene-2-oxidanyl-heptanoic acid Openeye Name: (3Z)-2-(2,3-dihydroxy-1-sulfanyl-propyl)-3-ethylidene-2-hydroxy-heptanoic acid CAS Name: (3Z)-2-(2,3-dihydroxy-1-mercaptopropyl)-3-ethylidene-2-hydroxyheptanoic acid IUPAC Name: (3Z)-2-(2,3-dihydroxy-1-sulfanylpropyl)-3-ethylidene-2-hydroxyheptanoic acid Traditional Name: (Z)-3-butyl-2-(2,3-dihydroxy-1-mercapto-propyl)-2-hydroxy-pent-3-enoic acid Formula: C12H22O5S MolecularWeight: 278.36508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC)C(C(C(CO)O)S)(C(=O)O)O

Isomeric SMILES

CCCC/C(=C/C)/C(C(C(CO)O)S)(C(=O)O)O

InChI

InChI=1S/C12H22O5S/c1-3-5-6-8(4-2)12(17,11(15)16)10(18)9(14)7-13/h4,9-10,13-14,17-18H,3,5-7H2,1-2H3,(H,15,16)/b8-4-