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 8 results

Search term: QAJQBKCKMWVTHU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4591906

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H27NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,17-19,23,27H,9H2,1-5H3/b7-6+,10-8+/t11-,12-,17-,18-,19+,21+,22-/m1/s1
C22H27NO7417.45235500
5143316

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H27NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,17-19,23,27H,9H2,1-5H3/t11-,12-,17-,18-,19+,21+,22+/m1/s1
C22H27NO7417.45232100
5144983

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H27NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,17-19,23,27H,9H2,1-5H3/t11?,12-,17-,18+,19+,21+,22-/m1/s1
C22H27NO7417.45232100
8246121

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H27NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,17-19,23,27H,9H2,1-5H3/b7-6+,10-8+/t11-,12-,17-,18-,19+,21+,22?/m1/s1
C22H27NO7417.45232100
10142952

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C22H27NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,17-19,23,27H,9H2,1-5H3/b7-6+,10-8+/t11-,12-,17-,18?,19+,21+,22?/m1/s1
C22H27NO7417.45232200
2840289

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C22H27NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,17-19,23,27H,9H2,1-5H3
C22H27NO7417.452282100
58817077

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H27NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,17-19,23,27H,9H2,1-5H3/b7-6+,10-8+/t11-,12-,17-,18-,19+,21?,22-/m1/s1
C22H27NO7417.45231100
129308644

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H27NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,17-19,23,27H,9H2,1-5H3/b7-6+,10-8u/t11-,12-,17-,18?,19+,21+,22-/m1/s1
C22H27NO7417.45231100

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