methyl 4-[2-[2,3-bis(oxidanyl)propoxy-oxidanyl-phosphoryl]oxyethylamino]-2-ethyl-5,7,12-tris(oxidanyl)-6,11-bis(oxidanylidene)tetracene-1-carboxylate

Systemtic Name: methyl 4-[2-[2,3-bis(oxidanyl)propoxy-oxidanyl-phosphoryl]oxyethylamino]-2-ethyl-5,7,12-tris(oxidanyl)-6,11-bis(oxidanylidene)tetracene-1-carboxylate Openeye Name: methyl 4-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethylamino]-2-ethyl-5,7,12-trihydroxy-6,11-dioxo-tetracene-1-carboxylate CAS Name: 4-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethylamino]-2-ethyl-5,7,12-trihydroxy-6,11-dioxo-1-tetracenecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethylamino]-2-ethyl-5,7,12-trihydroxy-6,11-dioxotetracene-1-carboxylate Traditional Name: 2-ethyl-4-[2-[glyceryloxy(hydroxy)phosphoryl]oxyethylamino]-5,7,12-trihydroxy-6,11-diketo-tetracene-1-carboxylic acid methyl ester Formula: C27H28NO13P MolecularWeight: 605.483881

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)NCCOP(=O)(O)OCC(CO)O

Isomeric SMILES

CCC1=CC(=C2C(=C1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)NCCOP(=O)(O)OCC(CO)O

InChI

InChI=1S/C27H28NO13P/c1-3-12-9-15(28-7-8-40-42(37,38)41-11-13(30)10-29)19-20(17(12)27(36)39-2)26(35)21-22(25(19)34)24(33)18-14(23(21)32)5-4-6-16(18)31/h4-6,9,13,28-31,34-35H,3,7-8,10-11H2,1-2H3,(H,37,38)