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 6 results

Search term: WBOCSUAOZWICQT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2963295

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C22H29Cl3O13/c1-9(26)31-7-15-16(25)18(33-11(3)28)19(34-12(4)29)21(36-15)38-22(8-24)20(35-13(5)30)17(32-10(2)27)14(6-23)37-22/h14-21H,6-8H2,1-5H3
C22H29Cl3O13607.81685999999910600
17460900

2 of 9 defined stereocentres - 2/9 defined
InChI=1/C22H29Cl3O13/c1-9(26)31-7-15-16(25)18(33-11(3)28)19(34-12(4)29)21(36-15)38-22(8-24)20(35-13(5)30)17(32-10(2)27)14(6-23)37-22/h14-21H,6-8H2,1-5H3/t14?,15?,16-,17?,18?,19?,20?,21-,22?/m1/s1
C22H29Cl3O13607.81695100
9061862

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C22H29Cl3O13/c1-9(26)31-7-15-16(25)18(33-11(3)28)19(34-12(4)29)21(36-15)38-22(8-24)20(35-13(5)30)17(32-10(2)27)14(6-23)37-22/h14-21H,6-8H2,1-5H3/t14-,15-,16+,17-,18+,19-,20+,21-,22+/m1/s1
C22H29Cl3O13607.81694400
107446692

8 of 9 defined stereocentres - 8/9 defined

Non-standard isotope
InChI=1/C22H29Cl3O13/c1-9(26)31-7-15-16(25)18(33-11(3)28)19(34-12(4)29)21(36-15)38-22(8-24)20(35-13(5)30)17(32-10(2)27)14(6-23)37-22/h14-21H,6-8H2,1-5H3/t14-,15-,16+,17-,18+,19-,20+,21?,22+/m1/s1/i6D2,7D2,8D2
C22H23D6Cl3O13613.85381100
111309850

8 of 9 defined stereocentres - 8/9 defined

Non-standard isotope
InChI=1/C22H29Cl3O13/c1-9(26)31-7-15-16(25)18(33-11(3)28)19(34-12(4)29)21(36-15)38-22(8-24)20(35-13(5)30)17(32-10(2)27)14(6-23)37-22/h14-21H,6-8H2,1-5H3/t14-,15-,16+,17-,18+,19-,20+,21?,22+/m0/s1/i6D2,7D2,8D2
C22H23D6Cl3O13613.85381100

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