[9-[4-[bis(acetyloxymethoxycarbonyl)amino]-3-[2-[6-[bis(acetyloxymethoxycarbonyl)amino]-2,3-bis(fluoranyl)phenoxy]ethoxy]phenyl]-2,7-bis(fluoranyl)-6-oxidanylidene-xanthen-3-yl]oxymethyl ethanoate

Systemtic Name: [9-[4-[bis(acetyloxymethoxycarbonyl)amino]-3-[2-[6-[bis(acetyloxymethoxycarbonyl)amino]-2,3-bis(fluoranyl)phenoxy]ethoxy]phenyl]-2,7-bis(fluoranyl)-6-oxidanylidene-xanthen-3-yl]oxymethyl ethanoate Openeye Name: [9-[4-[bis(acetoxymethoxycarbonyl)amino]-3-[2-[6-[bis(acetoxymethoxycarbonyl)amino]-2,3-difluoro-phenoxy]ethoxy]phenyl]-2,7-difluoro-6-oxo-xanthen-3-yl]oxymethyl acetate CAS Name: acetic acid [9-[4-[bis[acetyloxymethoxy(oxo)methyl]amino]-3-[2-[6-[bis[acetyloxymethoxy(oxo)methyl]amino]-2,3-difluorophenoxy]ethoxy]phenyl]-2,7-difluoro-6-oxo-3-xanthenyl]oxymethyl ester IUPAC Name: [9-[4-[bis(acetyloxymethoxycarbonyl)amino]-3-[2-[6-[bis(acetyloxymethoxycarbonyl)amino]-2,3-difluorophenoxy]ethoxy]phenyl]-2,7-difluoro-6-oxoxanthen-3-yl]oxymethyl acetate Traditional Name: acetic acid [9-[4-[bis(acetoxymethoxycarbonyl)amino]-3-[2-[6-[bis(acetoxymethoxycarbonyl)amino]-2,3-difluoro-phenoxy]ethoxy]phenyl]-2,7-difluoro-6-keto-xanthen-3-yl]oxymethyl ester Formula: C46H38F4N2O23 MolecularWeight: 1062.787133

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCOC1=C(C=C2C(=C1)OC3=CC(=O)C(=CC3=C2C4=CC(=C(C=C4)N(C(=O)OCOC(=O)C)C(=O)OCOC(=O)C)OCCOC5=C(C=CC(=C5F)F)N(C(=O)OCOC(=O)C)C(=O)OCOC(=O)C)F)F

Isomeric SMILES

CC(=O)OCOC1=C(C=C2C(=C1)OC3=CC(=O)C(=CC3=C2C4=CC(=C(C=C4)N(C(=O)OCOC(=O)C)C(=O)OCOC(=O)C)OCCOC5=C(C=CC(=C5F)F)N(C(=O)OCOC(=O)C)C(=O)OCOC(=O)C)F)F

InChI

InChI=1S/C46H38F4N2O23/c1-22(53)65-17-70-38-16-37-29(14-32(38)49)40(28-13-31(48)35(58)15-36(28)75-37)27-6-8-33(51(43(59)71-18-66-23(2)54)44(60)72-19-67-24(3)55)39(12-27)63-10-11-64-42-34(9-7-30(47)41(42)50)52(45(61)73-20-68-25(4)56)46(62)74-21-69-26(5)57/h6-9,12-16H,10-11,17-21H2,1-5H3