2-methyl-3-(6-oxidanylhexylsulfanyl)naphthalene-1,4-dione

Systemtic Name: 2-methyl-3-(6-oxidanylhexylsulfanyl)naphthalene-1,4-dione Openeye Name: 2-(6-hydroxyhexylsulfanyl)-3-methyl-naphthalene-1,4-dione CAS Name: 2-(6-hydroxyhexylthio)-3-methylnaphthalene-1,4-dione IUPAC Name: 2-(6-hydroxyhexylsulfanyl)-3-methylnaphthalene-1,4-dione Traditional Name: 2-(6-hydroxyhexylthio)-3-methyl-1,4-naphthoquinone Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCCCCCO

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCCCCCO

InChI

InChI=1S/C17H20O3S/c1-12-15(19)13-8-4-5-9-14(13)16(20)17(12)21-11-7-3-2-6-10-18/h4-5,8-9,18H,2-3,6-7,10-11H2,1H3