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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 9 results

Search term: 13755-38-9 (Found by synonym)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10698405
InChI=1/C9H8N2O2/c1-13-9(12)7-2-6(5-10)3-8(11)4-7/h2-4H,11H2,1H3
C9H8N2O2176.172644408
21169788

Charge
InChI=1/5CN.Fe.NO.2Na/c5*1-2;;1-2;;/q;;;;;2*-1;2*+1/rC5FeN6O.2Na/c7-1-6(2-8,3-9,4-10,5-11)12-13;;/q-2;2*+1
C5FeN6Na2O261.9176242700
21170789

Charge
InChI=1/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q;;;;;2*-1;2*+1;;/rC5FeN6O.2Na.2H2O/c7-1-6(2-8,3-9,4-10,5-11)12-13;;;;/h;;;2*1H2/q-2;2*+1;;
C5H4FeN6Na2O3297.9482142611206626
10137747

Charge
InChI=1/5CN.Fe.NO.2Na/c5*1-2;;1-2;;/q5*-1;+4;-1;2*+1
C5FeN6Na2O261.91764300
10128190

Charge
InChI=1/5CN.Fe.NO/c5*1-2;;1-2/q5*-1;+6;-1
C5FeN6O215.93812200
32699483

Charge
InChI=1/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q5*-1;+2;3*+1;;
C5H4FeN6Na2O3297.94822300
107443535

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H18O9/c1-30-11-4-2-3-8-14(11)20(28)16-15(17(8)25)18(26)9-5-21(29,12(24)7-22)6-10(23)13(9)19(16)27/h2-4,10,22-23,26-27,29H,5-7H2,1H3/t10-,21?/m1/s1
C21H18O9414.36221400
30784604

Charge
InChI=1/6CN.Fe.4K.NO2/c6*1-2;;;;;;2-1-3/q;;;;;;-4;4*+1;/rC6FeN7O2.4K/c8-1-7(2-9,3-10,4-11,5-12,6-13)14(15)16;;;;/q-4;4*+1
C6FeK4N7O2414.34811100

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