2-(2-hydroxyethylsulfanyl)-3-methyl-5,8-dinitro-naphthalene-1,4-dione

Systemtic Name: 2-(2-hydroxyethylsulfanyl)-3-methyl-5,8-dinitro-naphthalene-1,4-dione Openeye Name: 2-(2-hydroxyethylsulfanyl)-3-methyl-5,8-dinitro-naphthalene-1,4-dione CAS Name: 2-(2-hydroxyethylthio)-3-methyl-5,8-dinitronaphthalene-1,4-dione IUPAC Name: 2-(2-hydroxyethylsulfanyl)-3-methyl-5,8-dinitronaphthalene-1,4-dione Traditional Name: 2-(2-hydroxyethylthio)-3-methyl-5,8-dinitro-1,4-naphthoquinone Formula: C13H10N2O7S MolecularWeight: 338.2927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C=CC(=C2C1=O)[N+](=O)[O-])[N+](=O)[O-])SCCO

Isomeric SMILES

CC1=C(C(=O)C2=C(C=CC(=C2C1=O)[N+](=O)[O-])[N+](=O)[O-])SCCO

InChI

InChI=1S/C13H10N2O7S/c1-6-11(17)9-7(14(19)20)2-3-8(15(21)22)10(9)12(18)13(6)23-5-4-16/h2-3,16H,4-5H2,1H3