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 12 results

Search term: JJGYGPZNTOPXGV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4575434

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
C19H21NO4327.3743397400
17345109

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1/i1D3,2D3
C19H15D6NO4333.4113131200
31045277

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1/i2D3
C19H18D3NO4330.3928122300
17345108

2 of 5 defined stereocentres - 2/5 defined

Non-standard isotope
InChI=1/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12?,13-,15?,18?,19+/m1/s1/i2D3
C19H18D3NO4330.39287500
4676745

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15+,18-,19-/m0/s1
C19H21NO4327.37436600
28581580

0 of 5 defined stereocentres - 0/5 defined

Non-standard isotope
InChI=1/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/i2D3
C19H18D3NO4330.39283200
26342034

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12?,13-,15?,18?,19+/m1/s1
C19H21NO4327.37432100
78429972

2 of 5 defined stereocentres - 2/5 defined

Non-standard isotope
InChI=1/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12?,13-,15?,18?,19-/m0/s1/i2D3
C19H18D3NO4330.39281100
111312466

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m1/s1
C19H21NO4327.37431100
111312468

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m1/s1/i2D3
C19H18D3NO4330.39281100
128926869

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13-,15-,18+,19-/m1/s1/i1D3,2D3
C19H15D6NO4333.41131100

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