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 12 results

Search term: MPMGYYYSXBITBB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2216559

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C20H19NO5/c1-9-2-3-12-11(8-9)16-10(5-7-25-16)17-20-6-4-13(26-20)14(19(23)24)15(20)18(22)21(12)17/h2-4,6,8,10,13-17H,5,7H2,1H3,(H,23,24)
C20H19NO5353.36856131000
17463744

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C20H19NO5/c1-9-2-3-12-11(8-9)16-10(5-7-25-16)17-20-6-4-13(26-20)14(19(23)24)15(20)18(22)21(12)17/h2-4,6,8,10,13-17H,5,7H2,1H3,(H,23,24)/t10?,13-,14?,15?,16?,17?,20+/m1/s1
C20H19NO5353.36865100
10049101

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H19NO5/c1-9-2-3-12-11(8-9)16-10(5-7-25-16)17-20-6-4-13(26-20)14(19(23)24)15(20)18(22)21(12)17/h2-4,6,8,10,13-17H,5,7H2,1H3,(H,23,24)/t10-,13+,14-,15+,16+,17-,20-/m0/s1
C20H19NO5353.36862100
10049099

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H19NO5/c1-9-2-3-12-11(8-9)16-10(5-7-25-16)17-20-6-4-13(26-20)14(19(23)24)15(20)18(22)21(12)17/h2-4,6,8,10,13-17H,5,7H2,1H3,(H,23,24)/t10-,13+,14-,15+,16-,17-,20-/m0/s1
C20H19NO5353.36862100
1382964

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H19NO5/c1-9-2-3-12-11(8-9)16-10(5-7-25-16)17-20-6-4-13(26-20)14(19(23)24)15(20)18(22)21(12)17/h2-4,6,8,10,13-17H,5,7H2,1H3,(H,23,24)/t10-,13+,14-,15-,16+,17-,20-/m0/s1
C20H19NO5353.36862100
10049095

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H19NO5/c1-9-2-3-12-11(8-9)16-10(5-7-25-16)17-20-6-4-13(26-20)14(19(23)24)15(20)18(22)21(12)17/h2-4,6,8,10,13-17H,5,7H2,1H3,(H,23,24)/t10-,13-,14+,15-,16+,17+,20+/m1/s1
C20H19NO5353.36862100
10049097

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H19NO5/c1-9-2-3-12-11(8-9)16-10(5-7-25-16)17-20-6-4-13(26-20)14(19(23)24)15(20)18(22)21(12)17/h2-4,6,8,10,13-17H,5,7H2,1H3,(H,23,24)/t10-,13-,14+,15-,16-,17+,20+/m1/s1
C20H19NO5353.36862100
10049098

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H19NO5/c1-9-2-3-12-11(8-9)16-10(5-7-25-16)17-20-6-4-13(26-20)14(19(23)24)15(20)18(22)21(12)17/h2-4,6,8,10,13-17H,5,7H2,1H3,(H,23,24)/p-1/t10-,13+,14-,15+,16-,17-,20-/m0/s1
C20H18NO5352.36121100
10049096

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H19NO5/c1-9-2-3-12-11(8-9)16-10(5-7-25-16)17-20-6-4-13(26-20)14(19(23)24)15(20)18(22)21(12)17/h2-4,6,8,10,13-17H,5,7H2,1H3,(H,23,24)/p-1/t10-,13-,14+,15-,16-,17+,20+/m1/s1
C20H18NO5352.36121100
1382963

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H19NO5/c1-9-2-3-12-11(8-9)16-10(5-7-25-16)17-20-6-4-13(26-20)14(19(23)24)15(20)18(22)21(12)17/h2-4,6,8,10,13-17H,5,7H2,1H3,(H,23,24)/p-1/t10-,13+,14-,15-,16+,17-,20-/m0/s1
C20H18NO5352.36121100
10049094

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H19NO5/c1-9-2-3-12-11(8-9)16-10(5-7-25-16)17-20-6-4-13(26-20)14(19(23)24)15(20)18(22)21(12)17/h2-4,6,8,10,13-17H,5,7H2,1H3,(H,23,24)/p-1/t10-,13-,14+,15-,16+,17+,20+/m1/s1
C20H18NO5352.36121100
10049100

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H19NO5/c1-9-2-3-12-11(8-9)16-10(5-7-25-16)17-20-6-4-13(26-20)14(19(23)24)15(20)18(22)21(12)17/h2-4,6,8,10,13-17H,5,7H2,1H3,(H,23,24)/p-1/t10-,13+,14-,15+,16+,17-,20-/m0/s1
C20H18NO5352.36121100

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