(Q82967446)

English

Sodium 15-[(carboxymethanesulfonyl)oxy]-3-methoxy-1,2,6,7-tetradehydroerythrinan-16-olate

group of stereoisomers with the chemical formula C₁₉H₂₀NNaO₇S

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Statements

group of stereoisomers

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chemical compound

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429.08581725999994 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₀NNaO₇S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

COC1C=CC2=CCN3CCc4cc([O-])c(OS(=O)(=O)CC(=O)O)cc4C23C1.[Na+]

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CO[C@H]1C=CC2=CCN3CCc4cc([O-])c(OS(=O)(=O)CC(=O)O)cc4C23C1.[Na+]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C19H21NO7S.Na/c1-26-14-3-2-13-5-7-20-6-4-12-8-16(21)17(9-15(12)19(13,20)10-14)27-28(24,25)11-18(22)23;/h2-3,5,8-9,14,21H,4,6-7,10-11H2,1H3,(H,22,23);/q;+1/p-1/t14-,19?;/m0./s1

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TVUHYGCTZOHGOX-BIKCLSHLSA-M

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CAS Registry Number

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID701408496

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