[3-methoxy-2,2-dimethyl-6-[8-methyl-2-oxidanylidene-4-(phosphonatomethyl)chromen-7-yl]oxy-5-oxidanyl-oxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: [3-methoxy-2,2-dimethyl-6-[8-methyl-2-oxidanylidene-4-(phosphonatomethyl)chromen-7-yl]oxy-5-oxidanyl-oxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate Openeye Name: [5-hydroxy-3-methoxy-2,2-dimethyl-6-[8-methyl-2-oxo-4-(phosphonatomethyl)chromen-7-yl]oxy-tetrahydropyran-4-yl] 5-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-methyl-1H-pyrrole-2-carboxylic acid [5-hydroxy-3-methoxy-2,2-dimethyl-6-[[8-methyl-2-oxo-4-(phosphonatomethyl)-1-benzopyran-7-yl]oxy]-4-oxanyl] ester IUPAC Name: [5-hydroxy-3-methoxy-2,2-dimethyl-6-[8-methyl-2-oxo-4-(phosphonatomethyl)chromen-7-yl]oxyoxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-methyl-1H-pyrrole-2-carboxylic acid [5-hydroxy-6-[2-keto-8-methyl-4-(phosphonatomethyl)chromen-7-yl]oxy-3-methoxy-2,2-dimethyl-tetrahydropyran-4-yl] ester Formula: C25H28NO11P-2 MolecularWeight: 549.463681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=CC(=O)O4)CP(=O)([O-])[O-])C)O

Isomeric SMILES

CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=CC(=O)O4)CP(=O)([O-])[O-])C)O

InChI

InChI=1S/C25H30NO11P/c1-12-6-8-16(26-12)23(29)36-21-19(28)24(37-25(3,4)22(21)33-5)34-17-9-7-15-14(11-38(30,31)32)10-18(27)35-20(15)13(17)2/h6-10,19,21-22,24,26,28H,11H2,1-5H3,(H2,30,31,32)/p-2