(2Z)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-10,11,12a-tris(oxidanyl)-7-[2-(1-oxidanylcyclohexyl)ethynyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione

Systemtic Name: (2Z)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-10,11,12a-tris(oxidanyl)-7-[2-(1-oxidanylcyclohexyl)ethynyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Openeye Name: (2Z)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[2-(1-hydroxycyclohexyl)ethynyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione CAS Name: (2Z)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[2-(1-hydroxycyclohexyl)ethynyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione IUPAC Name: (2Z)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[2-(1-hydroxycyclohexyl)ethynyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Traditional Name: (2Z)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[2-(1-hydroxycyclohexyl)ethynyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Formula: C29H32N2O8 MolecularWeight: 536.57298

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O)C#CC5(CCCCC5)O

Isomeric SMILES

CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O)C#CC5(CCCCC5)O

InChI

InChI=1S/C29H32N2O8/c1-31(2)22-17-13-15-12-16-14(8-11-28(38)9-4-3-5-10-28)6-7-18(32)20(16)23(33)19(15)25(35)29(17,39)26(36)21(24(22)34)27(30)37/h6-7,15,17,22,32-33,37-39H,3-5,9-10,12-13,30H2,1-2H3/b27-21-