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 7 results

Search term: DHQUQYYPAWHGAR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
172782

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H21NO4/c20-17(19(22)24-14-16-9-5-2-6-10-16)11-12-18(21)23-13-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2
C19H21NO4327.3743344000
2301564

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H21NO4/c20-17(19(22)24-14-16-9-5-2-6-10-16)11-12-18(21)23-13-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2/t17-/m0/s1
C19H21NO4327.37434161202
5379393

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H21NO4/c20-17(19(22)24-14-16-9-5-2-6-10-16)11-12-18(21)23-13-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2/t17-/m1/s1
C19H21NO4327.374311900
5361456

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H21NO4/c20-17(19(22)24-14-16-9-5-2-6-10-16)11-12-18(21)23-13-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2/p+1/t17-/m0/s1
C19H22NO4328.38172200
5379392

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H21NO4/c20-17(19(22)24-14-16-9-5-2-6-10-16)11-12-18(21)23-13-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2/p+1/t17-/m1/s1
C19H22NO4328.38171100
9831083

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C19H21NO4/c20-17(19(22)24-14-16-9-5-2-6-10-16)11-12-18(21)23-13-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2/t17-/m0/s1/i11+1,12+1,17+1,18+1,19+1,20+1
C1413C5H2115NO4333.3311100
13109135

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C19H21NO4/c20-17(19(22)24-14-16-9-5-2-6-10-16)11-12-18(21)23-13-15-7-3-1-4-8-15/h1-10,17H,11-14,20H2/t17-/m1/s1/i11+1,12+1,17+1,18+1,19+1,20+1
C1413C5H2115NO4333.3311100

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