3-nitro-5-[3-nitro-4,5-bis(oxidanyl)phenyl]sulfanyl-benzene-1,2-diol

Systemtic Name: 3-nitro-5-[3-nitro-4,5-bis(oxidanyl)phenyl]sulfanyl-benzene-1,2-diol Openeye Name: 5-(3,4-dihydroxy-5-nitro-phenyl)sulfanyl-3-nitro-benzene-1,2-diol CAS Name: 5-[(3,4-dihydroxy-5-nitrophenyl)thio]-3-nitrobenzene-1,2-diol IUPAC Name: 5-(3,4-dihydroxy-5-nitrophenyl)sulfanyl-3-nitrobenzene-1,2-diol Traditional Name: 5-[(3,4-dihydroxy-5-nitro-phenyl)thio]-3-nitro-pyrocatechol Formula: C12H8N2O8S MolecularWeight: 340.26552

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)[N+](=O)[O-])SC2=CC(=C(C(=C2)[N+](=O)[O-])O)O

Isomeric SMILES

C1=C(C=C(C(=C1O)O)[N+](=O)[O-])SC2=CC(=C(C(=C2)[N+](=O)[O-])O)O

InChI

InChI=1S/C12H8N2O8S/c15-9-3-5(1-7(11(9)17)13(19)20)23-6-2-8(14(21)22)12(18)10(16)4-6/h1-4,15-18H