Matches any text strings used to describe a molecule.
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 10 results

Search term: SKYZYDSNJIOXRL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9039

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17NO2.ClH/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;/h2-6,13,19-20H,7-9H2,1H3;1H/t13-;/m1./s1
C17H18ClNO2303.7833491298817
4642402

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H17NO2.ClH/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;/h2-6,13,19-20H,7-9H2,1H3;1H
C17H18ClNO2303.78333539140
5254711

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H17NO2.ClH/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;/h2-6,13,19-20H,7-9H2,1H3;1H/t13-;/m0./s1
C17H18ClNO2303.7833272100
48059467

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C17H17NO2.ClH/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;/h2-6,13,19-20H,7-9H2,1H3;1H/t13-;/m1./s1/i2D,3D,4D,5D,6D;
C17H13D5ClNO2308.81417900
48059466

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C17H17NO2.ClH/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;/h2-6,13,19-20H,7-9H2,1H3;1H/t13-;/m1./s1/i1D3;
C17H15D3ClNO2306.80184500
62920466

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C17H17NO2.ClH/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;/h2-6,13,19-20H,7-9H2,1H3;1H/t13-;/m1./s1/i3D,4D,5D,6D;
C17H14D4ClNO2307.8082300
114392777

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C17H17NO2.ClH/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;/h2-6,13,19-20H,7-9H2,1H3;1H/t13-;/m1./s1/i1+1D3;
C1613CH15D3ClNO2307.79451100
115009492

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C17H17NO2.ClH/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;/h2-6,13,19-20H,7-9H2,1H3;1H/t13-;/m0./s1/i1+1D3;
C1613CH15D3ClNO2307.79451100
9668051

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C17H17NO2.ClH/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;/h2-6,13,19-20H,7-9H2,1H3;1H/t13-;/m1./s1/i13+2;
C1614CH18ClNO2305.77591100

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