(7S,9S)-9-ethanoyl-4-methoxy-6-nitro-7,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione

Systemtic Name: (7S,9S)-9-ethanoyl-4-methoxy-6-nitro-7,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: (7S,9S)-9-acetyl-7,9,11-trihydroxy-4-methoxy-6-nitro-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: (7S,9S)-9-acetyl-7,9,11-trihydroxy-4-methoxy-6-nitro-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: (7S,9S)-9-acetyl-7,9,11-trihydroxy-4-methoxy-6-nitro-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: (7S,9S)-9-acetyl-7,9,11-trihydroxy-4-methoxy-6-nitro-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C21H17NO9 MolecularWeight: 427.36098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)[N+](=O)[O-])O)O

Isomeric SMILES

CC(=O)[C@]1(C[C@@H](C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)[N+](=O)[O-])O)O

InChI

InChI=1S/C21H17NO9/c1-8(23)21(28)6-10-13(11(24)7-21)17(22(29)30)15-16(19(10)26)18(25)9-4-3-5-12(31-2)14(9)20(15)27/h3-5,11,24,26,28H,6-7H2,1-2H3/t11-,21-/m0/s1