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: GRPRUPGRTIXUIA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2393881

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H29N5O4/c1-3-17-9-11-20(12-10-17)34-16-19(31)15-30-21-22(29(2)25(33)28-23(21)32)27-24(30)26-14-13-18-7-5-4-6-8-18/h4-12,19,31H,3,13-16H2,1-2H3,(H,26,27)(H,28,32,33)
C25H29N5O4463.52886201300
850311

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H29N5O4/c1-3-17-9-11-20(12-10-17)34-16-19(31)15-30-21-22(29(2)25(33)28-23(21)32)27-24(30)26-14-13-18-7-5-4-6-8-18/h4-12,19,31H,3,13-16H2,1-2H3,(H,26,27)(H,28,32,33)/t19-/m1/s1
C25H29N5O4463.52893200
850314

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H29N5O4/c1-3-17-9-11-20(12-10-17)34-16-19(31)15-30-21-22(29(2)25(33)28-23(21)32)27-24(30)26-14-13-18-7-5-4-6-8-18/h4-12,19,31H,3,13-16H2,1-2H3,(H,26,27)(H,28,32,33)/t19-/m0/s1
C25H29N5O4463.52893200
21211776

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H29N5O4/c1-3-17-9-11-20(12-10-17)34-16-19(31)15-30-21-22(29(2)25(33)28-23(21)32)27-24(30)26-14-13-18-7-5-4-6-8-18/h4-12,19,31H,3,13-16H2,1-2H3,(H,26,27)(H,28,32,33)/p+1/t19-/m1/s1
C25H30N5O4464.53631100
21211777

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H29N5O4/c1-3-17-9-11-20(12-10-17)34-16-19(31)15-30-21-22(29(2)25(33)28-23(21)32)27-24(30)26-14-13-18-7-5-4-6-8-18/h4-12,19,31H,3,13-16H2,1-2H3,(H,26,27)(H,28,32,33)/p+1/t19-/m0/s1
C25H30N5O4464.53631100

Advertisement