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 5 results

Search term: KIQYRXQHIGITSL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3042899

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H27N3O5/c1-2-3-12-29-21(28)15-4-6-16(7-5-15)24-18(25)13-17(20(24)27)23-10-8-14(9-11-23)19(22)26/h4-7,14,17H,2-3,8-13H2,1H3,(H2,22,26)
C21H27N3O5401.45618201300
1444642

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27N3O5/c1-2-3-12-29-21(28)15-4-6-16(7-5-15)24-18(25)13-17(20(24)27)23-10-8-14(9-11-23)19(22)26/h4-7,14,17H,2-3,8-13H2,1H3,(H2,22,26)/t17-/m1/s1
C21H27N3O5401.45622100
1444644

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27N3O5/c1-2-3-12-29-21(28)15-4-6-16(7-5-15)24-18(25)13-17(20(24)27)23-10-8-14(9-11-23)19(22)26/h4-7,14,17H,2-3,8-13H2,1H3,(H2,22,26)/t17-/m0/s1
C21H27N3O5401.45622100
1444641

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27N3O5/c1-2-3-12-29-21(28)15-4-6-16(7-5-15)24-18(25)13-17(20(24)27)23-10-8-14(9-11-23)19(22)26/h4-7,14,17H,2-3,8-13H2,1H3,(H2,22,26)/p+1/t17-/m1/s1
C21H28N3O5402.46361100
1444643

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27N3O5/c1-2-3-12-29-21(28)15-4-6-16(7-5-15)24-18(25)13-17(20(24)27)23-10-8-14(9-11-23)19(22)26/h4-7,14,17H,2-3,8-13H2,1H3,(H2,22,26)/p+1/t17-/m0/s1
C21H28N3O5402.46361100

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