(Q105384285)

English

ZVGNESXIJDCBKN-HSFUDZDJSA-N

group of stereoisomers with the chemical formula C₅₂H₇₄Cl₂O₁₈

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instance of

group of stereoisomers

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1 reference

1,056.425220888 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₅₂H₇₄Cl₂O₁₈

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canonical SMILES

O=C(OC1C(O)C(OC)C(OCC2=CC=CCC(O)C(=CC(CC)C(OC3OC(C)(C)C(OC(=O)C(C)C)C(O)C3O)C(=CC(=CCC(OC2=O)C(O)C)C)C)C)OC1C)C=4C(O)=C(Cl)C(O)=C(Cl)C4CC

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isomeric SMILES

CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)OC1C(C)OC(OC/C2=C/C=C/CC(O)/C(C)=C/C(CC)C(OC3OC(C)(C)C(OC(=O)C(C)C)C(O)C3O)/C(C)=C/C(C)=C/CC(C(C)O)OC2=O)C(OC)C1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17-

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InChIKey

ZVGNESXIJDCBKN-HSFUDZDJSA-N

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1 reference

15 September 2022

1 reference

(Q105384285)

ZVGNESXIJDCBKN-HSFUDZDJSA-N

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