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 23 results

Search term: NCMZQTLCXHGLOK (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
14033

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1
C21H30O3330.4611847660
471010

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3
C21H30O3330.46112445018
5142812

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16?,17?,18?,20-,21-/m0/s1
C21H30O3330.461117600
9934017

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15?,16-,17-,18-,20-,21-/m0/s1
C21H30O3330.46111151539
9296211

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16+,17+,18+,20+,21+/m1/s1
C21H30O3330.46118600
5036576

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17+,18+,20-,21-/m0/s1
C21H30O3330.46114300
5408866

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m1/s1
C21H30O3330.46114300
8142908

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18?,20-,21-/m0/s1
C21H30O3330.46112100
8490195

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1/i5D2
C21H28D2O3332.47342200
620543

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17+,18+,20-,21-/m1/s1
C21H30O3330.46112100
794092

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16+,17-,18+,20+,21-/m0/s1
C21H30O3330.46112100
794093

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17+,18-,20-,21+/m1/s1
C21H30O3330.46112100
1048624

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17+,18+,20+,21-/m1/s1
C21H30O3330.46112100
10039752

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16+,17-,18-,20+,21-/m1/s1
C21H30O3330.46112100
10039753

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17+,18+,20-,21+/m0/s1
C21H30O3330.46112100
10039754

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16+,17-,18-,20-,21-/m1/s1
C21H30O3330.46112100
10039755

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17+,18+,20+,21+/m0/s1
C21H30O3330.46112100
10052407

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17+,18-,20-,21-/m0/s1
C21H30O3330.46112100
10052408

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18+,20-,21-/m0/s1
C21H30O3330.46112100
12

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