1-[4-[2,4-bis(oxidanyl)-5-sulfanyl-pentoxy]-2-oxidanyl-3-prop-2-enyl-phenyl]ethanone

Systemtic Name: 1-[4-[2,4-bis(oxidanyl)-5-sulfanyl-pentoxy]-2-oxidanyl-3-prop-2-enyl-phenyl]ethanone Openeye Name: 1-[3-allyl-4-(2,4-dihydroxy-5-sulfanyl-pentoxy)-2-hydroxy-phenyl]ethanone CAS Name: 1-[4-(2,4-dihydroxy-5-mercaptopentoxy)-2-hydroxy-3-prop-2-enylphenyl]ethanone IUPAC Name: 1-[4-(2,4-dihydroxy-5-sulfanylpentoxy)-2-hydroxy-3-prop-2-enylphenyl]ethanone Traditional Name: 1-[3-allyl-4-(2,4-dihydroxy-5-mercapto-pentoxy)-2-hydroxy-phenyl]ethanone Formula: C16H22O5S MolecularWeight: 326.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C=C1)OCC(CC(CS)O)O)CC=C)O

Isomeric SMILES

CC(=O)C1=C(C(=C(C=C1)OCC(CC(CS)O)O)CC=C)O

InChI

InChI=1S/C16H22O5S/c1-3-4-14-15(6-5-13(10(2)17)16(14)20)21-8-11(18)7-12(19)9-22/h3,5-6,11-12,18-20,22H,1,4,7-9H2,2H3