[9-[4-[bis(acetyloxymethoxycarbonyl)amino]-3-[2-[2-[bis(acetyloxymethoxycarbonyl)amino]-5-methyl-phenoxy]ethoxy]phenyl]-2,7-bis(chloranyl)-6-oxidanylidene-xanthen-3-yl]oxymethyl ethanoate

Systemtic Name: [9-[4-[bis(acetyloxymethoxycarbonyl)amino]-3-[2-[2-[bis(acetyloxymethoxycarbonyl)amino]-5-methyl-phenoxy]ethoxy]phenyl]-2,7-bis(chloranyl)-6-oxidanylidene-xanthen-3-yl]oxymethyl ethanoate Openeye Name: [9-[4-[bis(acetoxymethoxycarbonyl)amino]-3-[2-[2-[bis(acetoxymethoxycarbonyl)amino]-5-methyl-phenoxy]ethoxy]phenyl]-2,7-dichloro-6-oxo-xanthen-3-yl]oxymethyl acetate CAS Name: acetic acid [9-[4-[bis[acetyloxymethoxy(oxo)methyl]amino]-3-[2-[2-[bis[acetyloxymethoxy(oxo)methyl]amino]-5-methylphenoxy]ethoxy]phenyl]-2,7-dichloro-6-oxo-3-xanthenyl]oxymethyl ester IUPAC Name: [9-[4-[bis(acetyloxymethoxycarbonyl)amino]-3-[2-[2-[bis(acetyloxymethoxycarbonyl)amino]-5-methylphenoxy]ethoxy]phenyl]-2,7-dichloro-6-oxoxanthen-3-yl]oxymethyl acetate Traditional Name: acetic acid [9-[4-[bis(acetoxymethoxycarbonyl)amino]-3-[2-[2-[bis(acetoxymethoxycarbonyl)amino]-5-methyl-phenoxy]ethoxy]phenyl]-2,7-dichloro-6-keto-xanthen-3-yl]oxymethyl ester Formula: C47H42Cl2N2O23 MolecularWeight: 1073.74198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C(=O)OCOC(=O)C)C(=O)OCOC(=O)C)OCCOC2=C(C=CC(=C2)C3=C4C=C(C(=O)C=C4OC5=CC(=C(C=C53)Cl)OCOC(=O)C)Cl)N(C(=O)OCOC(=O)C)C(=O)OCOC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C(=O)OCOC(=O)C)C(=O)OCOC(=O)C)OCCOC2=C(C=CC(=C2)C3=C4C=C(C(=O)C=C4OC5=CC(=C(C=C53)Cl)OCOC(=O)C)Cl)N(C(=O)OCOC(=O)C)C(=O)OCOC(=O)C

InChI

InChI=1S/C47H42Cl2N2O23/c1-24-7-9-35(50(44(58)70-20-65-26(3)53)45(59)71-21-66-27(4)54)41(13-24)62-11-12-63-42-14-30(8-10-36(42)51(46(60)72-22-67-28(5)55)47(61)73-23-68-29(6)56)43-31-15-33(48)37(57)17-38(31)74-39-18-40(34(49)16-32(39)43)69-19-64-25(2)52/h7-10,13-18H,11-12,19-23H2,1-6H3