3-(cyclohexylsulfanylmethyl)-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-(cyclohexylsulfanylmethyl)-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-(cyclohexylsulfanylmethyl)-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[(cyclohexylthio)methyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-(cyclohexylsulfanylmethyl)-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[(cyclohexylthio)methyl]-4-hydroxy-1,2-naphthoquinone Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(C3=CC=CC=C3C(=O)C2=O)O

Isomeric SMILES

C1CCC(CC1)SCC2=C(C3=CC=CC=C3C(=O)C2=O)O

InChI

InChI=1S/C17H18O3S/c18-15-12-8-4-5-9-13(12)16(19)17(20)14(15)10-21-11-6-2-1-3-7-11/h4-5,8-9,11,18H,1-3,6-7,10H2