N-[(2S,3S,4S,6R)-6-[[(3S)-3-[1,2-bis(oxidanyl)ethyl]-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]-2,2,2-tris(fluoranyl)ethanamide

Systemtic Name: N-[(2S,3S,4S,6R)-6-[[(3S)-3-[1,2-bis(oxidanyl)ethyl]-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]-2,2,2-tris(fluoranyl)ethanamide Openeye Name: N-[(2S,3S,4S,6R)-6-[[(3S)-3-(1,2-dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]-2,2,2-trifluoro-acetamide CAS Name: N-[(2S,3S,4S,6R)-6-[[(3S)-3-(1,2-dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-4-oxanyl]-2,2,2-trifluoroacetamide IUPAC Name: N-[(2S,3S,4S,6R)-6-[[(3S)-3-(1,2-dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide Traditional Name: N-[(2S,3S,4S,6R)-6-[[(3S)-3-(1,2-dihydroxyethyl)-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]-2,2,2-trifluoro-acetamide Formula: C29H30F3NO12 MolecularWeight: 641.54321

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(CO)O)O)NC(=O)C(F)(F)F)O

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)OC2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(CO)O)O)NC(=O)C(F)(F)F)O

InChI

InChI=1S/C29H30F3NO12/c1-10-22(36)13(33-27(41)29(30,31)32)6-17(44-10)45-15-8-28(42,16(35)9-34)7-12-19(15)26(40)21-20(24(12)38)23(37)11-4-3-5-14(43-2)18(11)25(21)39/h3-5,10,13,15-17,22,34-36,38,40,42H,6-9H2,1-2H3,(H,33,41)/t10-,13-,15?,16?,17-,22+,28-/m0/s1