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 6 results

Search term: ZISVYIIZULIHFK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22870960

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C29H39NO3/c1-21-11-14-26-28(2,16-8-17-29(26,3)27(31)32-4)24(21)13-12-23-15-18-33-25(23)20-30-19-22-9-6-5-7-10-22/h5-7,9-10,15,18,24,26,30H,1,8,11-14,16-17,19-20H2,2-4H3/t24-,26?,28+,29-/m0/s1
C29H39NO3449.624911800
1404000

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C29H39NO3/c1-21-11-14-26-28(2,16-8-17-29(26,3)27(31)32-4)24(21)13-12-23-15-18-33-25(23)20-30-19-22-9-6-5-7-10-22/h5-7,9-10,15,18,24,26,30H,1,8,11-14,16-17,19-20H2,2-4H3/p+1/t24-,26-,28-,29+/m0/s1
C29H40NO3450.63232200
1404001

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C29H39NO3/c1-21-11-14-26-28(2,16-8-17-29(26,3)27(31)32-4)24(21)13-12-23-15-18-33-25(23)20-30-19-22-9-6-5-7-10-22/h5-7,9-10,15,18,24,26,30H,1,8,11-14,16-17,19-20H2,2-4H3/t24-,26-,28-,29+/m0/s1
C29H39NO3449.62492100
1404003

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C29H39NO3/c1-21-11-14-26-28(2,16-8-17-29(26,3)27(31)32-4)24(21)13-12-23-15-18-33-25(23)20-30-19-22-9-6-5-7-10-22/h5-7,9-10,15,18,24,26,30H,1,8,11-14,16-17,19-20H2,2-4H3/p+1/t24-,26+,28-,29+/m0/s1
C29H40NO3450.63232200
1404004

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C29H39NO3/c1-21-11-14-26-28(2,16-8-17-29(26,3)27(31)32-4)24(21)13-12-23-15-18-33-25(23)20-30-19-22-9-6-5-7-10-22/h5-7,9-10,15,18,24,26,30H,1,8,11-14,16-17,19-20H2,2-4H3/t24-,26+,28-,29+/m0/s1
C29H39NO3449.62492100
3035973

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C29H39NO3/c1-21-11-14-26-28(2,16-8-17-29(26,3)27(31)32-4)24(21)13-12-23-15-18-33-25(23)20-30-19-22-9-6-5-7-10-22/h5-7,9-10,15,18,24,26,30H,1,8,11-14,16-17,19-20H2,2-4H3
C29H39NO3449.624862100

Advertisement