(Q82932359)

English

Sodium 1,4:5,9-dianhydro-2,3,6,7-tetradeoxy-4-ethyl-8-C-ethyl-1-[6-hydroxy-5,7-dimethyl-9-(4-methyl-2,6-dinitro-3-oxidophenyl)-4-oxononan-3-yl]-2,9-dimethylnonitol

group of stereoisomers with the chemical formula C₃₃H₅₁N₂NaO₁₀

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

658.3441401119999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₁N₂NaO₁₀

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based on heuristic

inferred from SMILES

canonical SMILES

CCC(C(=O)C(C)C(O)C(C)CCc1c([N+](=O)[O-])cc(C)c([O-])c1[N+](=O)[O-])C1OC(CC)(C2CCC(O)(CC)C(C)O2)CC1C.[Na+]

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1c([N+](=O)[O-])cc(C)c([O-])c1[N+](=O)[O-])C1O[C@](CC)(C2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C.[Na+]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C33H52N2O10.Na/c1-9-23(31-20(6)17-33(11-3,45-31)26-14-15-32(39,10-2)22(8)44-26)30(38)21(7)28(36)18(4)12-13-24-25(34(40)41)16-19(5)29(37)27(24)35(42)43;/h16,18,20-23,26,28,31,36-37,39H,9-15,17H2,1-8H3;/q;+1/p-1/t18-,20+,21+,22+,23+,26?,28+,31?,32-,33+;/m1./s1

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InChIKey

TVJPZEUKYSDGFS-HPVVMJRXSA-M

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DSSTOX compound identifier

DTXCID601381534

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(Q82932359)

Sodium 1,4:5,9-dianhydro-2,3,6,7-tetradeoxy-4-ethyl-8-C-ethyl-1-[6-hydroxy-5,7-dimethyl-9-(4-methyl-2,6-dinitro-3-oxidophenyl)-4-oxononan-3-yl]-2,9-dimethylnonitol

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