(Q82942640)

English

(7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid--2-propylpentan-1-amine (1/1)

group of stereoisomers with the chemical formula C₁₈H₃₅NO₄S

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Statements

group of stereoisomers

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chemical compound

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361.2286796000001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₈H₃₅NO₄S

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based on heuristic

inferred from SMILES

canonical SMILES

CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.CCCC(CN)CCC

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1(C)C2CC[C@@]1(CS(=O)(=O)O)C(=O)C2.CCCC(CN)CCC

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C10H16O4S.C8H19N/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;1-3-5-8(7-9)6-4-2/h7H,3-6H2,1-2H3,(H,12,13,14);8H,3-7,9H2,1-2H3/t7?,10-;/m1./s1

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JVLDSHNWDWFUOP-DLGLCQKISA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID501389092

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