[(8Z)-8-[azanyl(oxidanyl)methylidene]-3-(2-bromanylethanoylamino)-10-(dimethylamino)-4,5,6a-tris(oxidanyl)-6,7,9-tris(oxidanylidene)-10a,11,11a,12-tetrahydro-10H-tetracen-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(8Z)-8-[azanyl(oxidanyl)methylidene]-3-(2-bromanylethanoylamino)-10-(dimethylamino)-4,5,6a-tris(oxidanyl)-6,7,9-tris(oxidanylidene)-10a,11,11a,12-tetrahydro-10H-tetracen-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(8Z)-8-[amino(hydroxy)methylene]-3-[(2-bromoacetyl)amino]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-2-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(8Z)-8-[amino(hydroxy)methylidene]-3-[(2-bromo-1-oxoethyl)amino]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-2-yl] ester IUPAC Name: [(8Z)-8-[amino(hydroxy)methylidene]-3-[(2-bromoacetyl)amino]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(8Z)-8-[amino(hydroxy)methylene]-3-[(2-bromoacetyl)amino]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-triketo-10a,11,11a,12-tetrahydro-10H-tetracen-2-yl] ester Formula: C24H23BrF3N3O11S MolecularWeight: 698.41713

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=CC(=C(C(=C4C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O)NC(=O)CBr)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CN(C)C1C2CC3CC4=CC(=C(C(=C4C(=C3C(=O)C2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O)NC(=O)CBr)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C24H23BrF3N3O11S/c1-31(2)16-9-4-7-3-8-5-10(42-43(40,41)24(26,27)28)15(30-11(32)6-25)18(34)12(8)17(33)13(7)20(36)23(9,39)21(37)14(19(16)35)22(29)38/h5,7,9,16,33-34,38-39H,3-4,6,29H2,1-2H3,(H,30,32)/b22-14-