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 8 results

Search term: DQYKTOCQVPMCRF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4447787

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H27N3O6/c1-3-39-30(38)26(33-28(36)23-11-7-8-12-24(23)29(33)37)18-21-13-15-22(16-14-21)32-27(35)25(31-19(2)34)17-20-9-5-4-6-10-20/h4-17,26H,3,18H2,1-2H3,(H,31,34)(H,32,35)/b25-17-
C30H27N3O6525.551879999999161200
4685446

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H27N3O6/c1-3-39-30(38)26(33-28(36)23-11-7-8-12-24(23)29(33)37)18-21-13-15-22(16-14-21)32-27(35)25(31-19(2)34)17-20-9-5-4-6-10-20/h4-17,26H,3,18H2,1-2H3,(H,31,34)(H,32,35)/b25-17+
C30H27N3O6525.55194200
2366976

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H27N3O6/c1-3-39-30(38)26(33-28(36)23-11-7-8-12-24(23)29(33)37)18-21-13-15-22(16-14-21)32-27(35)25(31-19(2)34)17-20-9-5-4-6-10-20/h4-17,26H,3,18H2,1-2H3,(H,31,34)(H,32,35)
C30H27N3O6525.5518799999993200
935685

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C30H27N3O6/c1-3-39-30(38)26(33-28(36)23-11-7-8-12-24(23)29(33)37)18-21-13-15-22(16-14-21)32-27(35)25(31-19(2)34)17-20-9-5-4-6-10-20/h4-17,26H,3,18H2,1-2H3,(H,31,34)(H,32,35)/t26-/m1/s1
C30H27N3O6525.55192100
935687

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C30H27N3O6/c1-3-39-30(38)26(33-28(36)23-11-7-8-12-24(23)29(33)37)18-21-13-15-22(16-14-21)32-27(35)25(31-19(2)34)17-20-9-5-4-6-10-20/h4-17,26H,3,18H2,1-2H3,(H,31,34)(H,32,35)/t26-/m0/s1
C30H27N3O6525.55192100
21212319

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H27N3O6/c1-3-39-30(38)26(33-28(36)23-11-7-8-12-24(23)29(33)37)18-21-13-15-22(16-14-21)32-27(35)25(31-19(2)34)17-20-9-5-4-6-10-20/h4-17,26H,3,18H2,1-2H3,(H,31,34)(H,32,35)/b25-17+/t26-/m1/s1
C30H27N3O6525.55191100
21212320

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H27N3O6/c1-3-39-30(38)26(33-28(36)23-11-7-8-12-24(23)29(33)37)18-21-13-15-22(16-14-21)32-27(35)25(31-19(2)34)17-20-9-5-4-6-10-20/h4-17,26H,3,18H2,1-2H3,(H,31,34)(H,32,35)/b25-17+/t26-/m0/s1
C30H27N3O6525.55191100
62376245

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H27N3O6/c1-3-39-30(38)26(33-28(36)23-11-7-8-12-24(23)29(33)37)18-21-13-15-22(16-14-21)32-27(35)25(31-19(2)34)17-20-9-5-4-6-10-20/h4-17,26H,3,18H2,1-2H3,(H,31,34)(H,32,35)/b25-17-/t26-/m1/s1
C30H27N3O6525.55191100

Advertisement