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 7 results

Search term: OVBOOJZKYTWZLW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2015279

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C29H36BrN3O6/c1-14-8-9-29(16(3)10-15(2)27(39-29)17(4)26(34)20-11-18(30)13-32-20)38-22(14)12-23-33-25-21(37-23)7-6-19(31-5)24(25)28(35)36/h6-7,11,13-17,22,27,31-32H,8-10,12H2,1-5H3,(H,35,36)/t14-,15+,16+,17?,22-,27-,29?/m0/s1
C29H36BrN3O6602.5166399999983200
3542927

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C29H36BrN3O6/c1-14-8-9-29(16(3)10-15(2)27(39-29)17(4)26(34)20-11-18(30)13-32-20)38-22(14)12-23-33-25-21(37-23)7-6-19(31-5)24(25)28(35)36/h6-7,11,13-17,22,27,31-32H,8-10,12H2,1-5H3,(H,35,36)
C29H36BrN3O6602.5166399999982100
10061177

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H36BrN3O6/c1-14-8-9-29(16(3)10-15(2)27(39-29)17(4)26(34)20-11-18(30)13-32-20)38-22(14)12-23-33-25-21(37-23)7-6-19(31-5)24(25)28(35)36/h6-7,11,13-17,22,27,31-32H,8-10,12H2,1-5H3,(H,35,36)/t14-,15+,16+,17-,22-,27-,29+/m0/s1
C29H36BrN3O6602.51662100
10061179

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H36BrN3O6/c1-14-8-9-29(16(3)10-15(2)27(39-29)17(4)26(34)20-11-18(30)13-32-20)38-22(14)12-23-33-25-21(37-23)7-6-19(31-5)24(25)28(35)36/h6-7,11,13-17,22,27,31-32H,8-10,12H2,1-5H3,(H,35,36)/t14-,15+,16+,17-,22-,27-,29-/m0/s1
C29H36BrN3O6602.51662100
107445732

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H36BrN3O6/c1-14-8-9-29(16(3)10-15(2)27(39-29)17(4)26(34)20-11-18(30)13-32-20)38-22(14)12-23-33-25-21(37-23)7-6-19(31-5)24(25)28(35)36/h6-7,11,13-17,22,27,31-32H,8-10,12H2,1-5H3,(H,35,36)/t14-,15-,16-,17-,22-,27+,29+/m1/s1
C29H36BrN3O6602.51661100
10061178

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H36BrN3O6/c1-14-8-9-29(16(3)10-15(2)27(39-29)17(4)26(34)20-11-18(30)13-32-20)38-22(14)12-23-33-25-21(37-23)7-6-19(31-5)24(25)28(35)36/h6-7,11,13-17,22,27,31-32H,8-10,12H2,1-5H3,(H,35,36)/p-1/t14-,15+,16+,17-,22-,27-,29-/m0/s1
C29H35BrN3O6601.50921100
10061176

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H36BrN3O6/c1-14-8-9-29(16(3)10-15(2)27(39-29)17(4)26(34)20-11-18(30)13-32-20)38-22(14)12-23-33-25-21(37-23)7-6-19(31-5)24(25)28(35)36/h6-7,11,13-17,22,27,31-32H,8-10,12H2,1-5H3,(H,35,36)/p-1/t14-,15+,16+,17-,22-,27-,29+/m0/s1
C29H35BrN3O6601.50921100

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