(Q82938603)

English

Acetic acid--4-{3-[4-(8-amino-5-methylphenanthridin-6(5H)-ylidene)cyclohexa-2,5-dien-1-ylidene]triaz-1-en-1-yl}benzene-1-carboximidamide--hydrogen chloride (1/1/1)

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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541.1993008160001 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₂₈ClN₇O₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)O.CN1C(=C2C=CC(=NN=Nc3ccc(C(=N)N)cc3)C=C2)c2cc(N)ccc2-c2ccccc21.Cl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C27H23N7.C2H4O2.ClH/c1-34-25-5-3-2-4-23(25)22-15-10-19(28)16-24(22)26(34)17-6-11-20(12-7-17)31-33-32-21-13-8-18(9-14-21)27(29)30;1-2(3)4;/h2-16H,28H2,1H3,(H3,29,30);1H3,(H,3,4);1H/b26-17-,31-20+,33-32?;;

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FXWFNWSQNIRYFK-UVQPHLGQSA-N

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CAS Registry Number

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID401386021

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