2-[2,3-bis(oxidanyl)propylsulfanyl]-3-methyl-naphthalene-1,4-dione

Systemtic Name: 2-[2,3-bis(oxidanyl)propylsulfanyl]-3-methyl-naphthalene-1,4-dione Openeye Name: 2-(2,3-dihydroxypropylsulfanyl)-3-methyl-naphthalene-1,4-dione CAS Name: 2-(2,3-dihydroxypropylthio)-3-methylnaphthalene-1,4-dione IUPAC Name: 2-(2,3-dihydroxypropylsulfanyl)-3-methylnaphthalene-1,4-dione Traditional Name: 2-(glycerylthio)-3-methyl-1,4-naphthoquinone Formula: C14H14O4S MolecularWeight: 278.32356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)SCC(CO)O

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)SCC(CO)O

InChI

InChI=1S/C14H14O4S/c1-8-12(17)10-4-2-3-5-11(10)13(18)14(8)19-7-9(16)6-15/h2-5,9,15-16H,6-7H2,1H3