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

Systemtic Name: 6-nitro-2,3-bis(phenylsulfanyl)naphthalene-1,4-dione Openeye Name: 6-nitro-2,3-bis(phenylsulfanyl)naphthalene-1,4-dione CAS Name: 6-nitro-2,3-bis(phenylthio)naphthalene-1,4-dione IUPAC Name: 6-nitro-2,3-bis(phenylsulfanyl)naphthalene-1,4-dione Traditional Name: 6-nitro-2,3-bis(phenylthio)-1,4-naphthoquinone Formula: C22H13NO4S2 MolecularWeight: 419.47292

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