5-nitro-2,3-bis(phenylsulfanyl)naphthalene-1,4-dione

Systemtic Name: 5-nitro-2,3-bis(phenylsulfanyl)naphthalene-1,4-dione Openeye Name: 5-nitro-2,3-bis(phenylsulfanyl)naphthalene-1,4-dione CAS Name: 5-nitro-2,3-bis(phenylthio)naphthalene-1,4-dione IUPAC Name: 5-nitro-2,3-bis(phenylsulfanyl)naphthalene-1,4-dione Traditional Name: 5-nitro-2,3-bis(phenylthio)-1,4-naphthoquinone Formula: C22H13NO4S2 MolecularWeight: 419.47292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C(=O)C3=C(C2=O)C=CC=C3[N+](=O)[O-])SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C(=O)C3=C(C2=O)C=CC=C3[N+](=O)[O-])SC4=CC=CC=C4

InChI

InChI=1S/C22H13NO4S2/c24-19-16-12-7-13-17(23(26)27)18(16)20(25)22(29-15-10-5-2-6-11-15)21(19)28-14-8-3-1-4-9-14/h1-13H