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
Additional Filters

Found 11 results

Search term: VDYACOATPFOZIO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
391151

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21-/m1/s1
C21H24O5356.4123332674
108956

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
C21H24O5356.4123252400
3682957

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3
C21H24O5356.4122676100
9090527

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21-/m0/s1
C21H24O5356.41234200
23128304

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20-,21+/m1/s1
C21H24O5356.41233300
24633440

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20-,21-/m1/s1
C21H24O5356.41233300
4475574

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13?,20?,21-/m0/s1
C21H24O5356.41232200
95532485

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13?,20?,21-/m1/s1
C21H24O5356.41231100
107444235

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1/i3D3,4D3
C21H18D6O5362.44921200
128925197

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20-,21+/m0/s1
C21H24O5356.41231100

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