1,12-dimethyl-2,4,9,11-tetranitro-benzo[c]phenanthrene-5,8-dicarboxylic acid

Systemtic Name: 1,12-dimethyl-2,4,9,11-tetranitro-benzo[c]phenanthrene-5,8-dicarboxylic acid Openeye Name: 1,12-dimethyl-2,4,9,11-tetranitro-benzo[c]phenanthrene-5,8-dicarboxylic acid CAS Name: 1,12-dimethyl-2,4,9,11-tetranitrobenzo[c]phenanthrene-5,8-dicarboxylic acid IUPAC Name: 1,12-dimethyl-2,4,9,11-tetranitrobenzo[c]phenanthrene-5,8-dicarboxylic acid Traditional Name: 1,12-dimethyl-2,4,9,11-tetranitro-benzo[c]phenanthrene-5,8-dicarboxylic acid Formula: C22H12N4O12 MolecularWeight: 524.35028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C(C=C3C=C(C4=C(C3=C12)C(=C(C=C4[N+](=O)[O-])[N+](=O)[O-])C)C(=O)O)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C2=C(C=C3C=C(C4=C(C3=C12)C(=C(C=C4[N+](=O)[O-])[N+](=O)[O-])C)C(=O)O)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H12N4O12/c1-7-12(23(31)32)5-14(25(35)36)19-10(21(27)28)3-9-4-11(22(29)30)20-15(26(37)38)6-13(24(33)34)8(2)17(20)18(9)16(7)19/h3-6H,1-2H3,(H,27,28)(H,29,30)