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 3 results

Search term: XGPUBBOSRCBOTK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2217089

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C33H34N4O5/c1-19(2)17-25-28-29(31(40)37(30(28)39)22-13-15-23(42-4)16-14-22)33(35-25)24-7-5-6-8-26(24)36(32(33)41)18-27(38)34-21-11-9-20(3)10-12-21/h5-16,19,25,28-29,35H,17-18H2,1-4H3,(H,34,38)
C33H34N4O5566.6468599999989700
1638806

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C33H34N4O5/c1-19(2)17-25-28-29(31(40)37(30(28)39)22-13-15-23(42-4)16-14-22)33(35-25)24-7-5-6-8-26(24)36(32(33)41)18-27(38)34-21-11-9-20(3)10-12-21/h5-16,19,25,28-29,35H,17-18H2,1-4H3,(H,34,38)/t25-,28-,29+,33-/m1/s1
C33H34N4O5566.64692100
1638805

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C33H34N4O5/c1-19(2)17-25-28-29(31(40)37(30(28)39)22-13-15-23(42-4)16-14-22)33(35-25)24-7-5-6-8-26(24)36(32(33)41)18-27(38)34-21-11-9-20(3)10-12-21/h5-16,19,25,28-29,35H,17-18H2,1-4H3,(H,34,38)/p+1/t25-,28-,29+,33-/m1/s1
C33H35N4O5567.65431100

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