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

Systemtic Name: (2E)-2-[azanyl(oxidanyl)methylidene]-9-[[3,4-bis(oxidanyl)phenyl]methylamino]-4,7-bis(dimethylamino)-10,11,12a-tris(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Openeye Name: (2E)-2-[amino(hydroxy)methylene]-9-[(3,4-dihydroxyphenyl)methylamino]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione CAS Name: (2E)-2-[amino(hydroxy)methylidene]-9-[(3,4-dihydroxyphenyl)methylamino]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione IUPAC Name: (2E)-2-[amino(hydroxy)methylidene]-9-[(3,4-dihydroxyphenyl)methylamino]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-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-(protocatechuylamino)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Formula: C30H34N4O9 MolecularWeight: 594.61236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C(=C(C=C4N(C)C)NCC5=CC(=C(C=C5)O)O)O)C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O

Isomeric SMILES

CN(C)C1C2CC3CC4=C(C(=C(C=C4N(C)C)NCC5=CC(=C(C=C5)O)O)O)C(=C3C(=O)C2(C(=O)/C(=C(\N)/O)/C1=O)O)O

InChI

InChI=1S/C30H34N4O9/c1-33(2)17-10-16(32-11-12-5-6-18(35)19(36)7-12)24(37)21-14(17)8-13-9-15-23(34(3)4)26(39)22(29(31)42)28(41)30(15,43)27(40)20(13)25(21)38/h5-7,10,13,15,23,32,35-38,42-43H,8-9,11,31H2,1-4H3/b29-22+