1-(4-chlorophenyl)sulfanyl-5-nitro-4,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 1-(4-chlorophenyl)sulfanyl-5-nitro-4,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 1-(4-chlorophenyl)sulfanyl-4,8-dihydroxy-5-nitro-anthracene-9,10-dione CAS Name: 1-[(4-chlorophenyl)thio]-4,8-dihydroxy-5-nitroanthracene-9,10-dione IUPAC Name: 1-(4-chlorophenyl)sulfanyl-4,8-dihydroxy-5-nitroanthracene-9,10-dione Traditional Name: 1-[(4-chlorophenyl)thio]-4,8-dihydroxy-5-nitro-9,10-anthraquinone Formula: C20H10ClNO6S MolecularWeight: 427.8145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H10ClNO6S/c21-9-1-3-10(4-2-9)29-14-8-7-13(24)17-18(14)20(26)16-12(23)6-5-11(22(27)28)15(16)19(17)25/h1-8,23-24H