(2Z,4S,4aR,5S,6S,12aS)-2-[azanyl(oxidanyl)methylidene]-7-chloranyl-4-(dimethylamino)-6-methyl-5,6,10,11,12a-pentakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione

Systemtic Name: (2Z,4S,4aR,5S,6S,12aS)-2-[azanyl(oxidanyl)methylidene]-7-chloranyl-4-(dimethylamino)-6-methyl-5,6,10,11,12a-pentakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione Openeye Name: (2Z,4S,4aR,5S,6S,12aS)-2-[amino(hydroxy)methylene]-7-chloro-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione CAS Name: (2Z,4S,4aR,5S,6S,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione IUPAC Name: (2Z,4S,4aR,5S,6S,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione Traditional Name: (2Z,4S,4aR,5S,6S,12aS)-2-[amino(hydroxy)methylene]-7-chloro-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione Formula: C22H23ClN2O9 MolecularWeight: 494.87902

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)N(C)C)O)O

Isomeric SMILES

C[C@@]1(C2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)N(C)C)O)O

InChI

InChI=1S/C22H23ClN2O9/c1-21(33)11-6(23)4-5-7(26)8(11)15(27)9-12(21)17(29)13-14(25(2)3)16(28)10(20(24)32)19(31)22(13,34)18(9)30/h4-5,12-14,17,26-27,29,32-34H,24H2,1-3H3/b20-10-/t12?,13-,14+,17+,21-,22+/m1/s1