(2E)-2-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-10,11,12a-tris(oxidanyl)-9-(2-phenylethynyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione

Systemtic Name: (2E)-2-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-10,11,12a-tris(oxidanyl)-9-(2-phenylethynyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Openeye Name: (2E)-2-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-9-(2-phenylethynyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione CAS Name: (2E)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-9-(2-phenylethynyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione IUPAC Name: (2E)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-9-(2-phenylethynyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Traditional Name: (2E)-2-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-9-(2-phenylethynyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Formula: C31H31N3O7 MolecularWeight: 557.59374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C=C(C(=C4C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O)C#CC5=CC=CC=C5)N(C)C

Isomeric SMILES

CN(C)C1C2CC3CC4=C(C=C(C(=C4C(=C3C(=O)C2(C(=O)/C(=C(\N)/O)/C1=O)O)O)O)C#CC5=CC=CC=C5)N(C)C

InChI

InChI=1S/C31H31N3O7/c1-33(2)20-14-16(11-10-15-8-6-5-7-9-15)25(35)22-18(20)12-17-13-19-24(34(3)4)27(37)23(30(32)40)29(39)31(19,41)28(38)21(17)26(22)36/h5-9,14,17,19,24,35-36,40-41H,12-13,32H2,1-4H3/b30-23+