(Q82924388)

English

Oxalic acid--1-(2-{[(4-chlorophenyl)(phenyl)methyl]sulfanyl}ethyl)-4-(2-methoxyphenyl)piperazine (1/1)

chemical compound

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Statements

type of chemical entity

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chemical compound

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542.1642207719999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₁ClN₂O₅S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

COc1ccccc1N1CCN(CCSC(c2ccccc2)c2ccc(Cl)cc2)CC1.O=C(O)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C26H29ClN2OS.C2H2O4/c1-30-25-10-6-5-9-24(25)29-17-15-28(16-18-29)19-20-31-26(21-7-3-2-4-8-21)22-11-13-23(27)14-12-22;3-1(4)2(5)6/h2-14,26H,15-20H2,1H3;(H,3,4)(H,5,6)

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HUAMZFYWLPROBY-UHFFFAOYSA-N

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CAS Registry Number

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID901374998

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