(Q82160792)

English

Tribenzo[a,c,e]cyclooctene

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Statements

type of chemical entity

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chemical compound

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254.109550448 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₀H₁₄

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canonical SMILES

C1=c2/cccc/c2=c2\cccc\c2=c2/cccc/c2=C/1

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based on heuristic

inferred from InChI

isomeric SMILES

C1=C/C/2=C/C=C/3\C(=C\4/C(=C2/C=C1)/C=CC=C4)\C=CC=C3

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Identifiers

InChI=1S/C20H14/c1-3-9-17-15(7-1)13-14-16-8-2-4-10-18(16)20-12-6-5-11-19(17)20/h1-14H/b14-13?,15-13-,16-14-,19-17-,20-18-

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LQXKMGHPVPGXCV-AQKKFZPNSA-N

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CAS Registry Number

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UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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