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: HRRCSEVLGXSDBY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8545681

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C36H42N4O/c1-2-5-11-20-39-22-16-29-28(31-32-27(15-19-37-31)26-13-7-8-14-30(26)38-32)23-35(17-9-3-1)33-34(29,25-39)24-36(41-35)18-10-4-6-12-21-40(33)36/h1,3,7-8,10,13-15,18-19,23,29,33,38H,2,4-6,9,11-12,16-17,20-22,24-25H2/b3-1-,18-10-/t29?,33-,34-,35-,36+/m0/s1
C36H42N4O546.74492100
23339583

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C36H42N4O/c1-2-5-11-20-39-22-16-29-28(31-32-27(15-19-37-31)26-13-7-8-14-30(26)38-32)23-35(17-9-3-1)33-34(29,25-39)24-36(41-35)18-10-4-6-12-21-40(33)36/h1,3,7-8,10,13-15,18-19,23,29,33,38H,2,4-6,9,11-12,16-17,20-22,24-25H2/b3-1-,18-10-/t29-,33+,34-,35-,36+/m0/s1
C36H42N4O546.74492200
29213032

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C36H42N4O/c1-2-5-11-20-39-22-16-29-28(31-32-27(15-19-37-31)26-13-7-8-14-30(26)38-32)23-35(17-9-3-1)33-34(29,25-39)24-36(41-35)18-10-4-6-12-21-40(33)36/h1,3,7-8,10,13-15,18-19,23,29,33,38H,2,4-6,9,11-12,16-17,20-22,24-25H2/b3-1-,18-10-/t29-,33+,34-,35-,36-/m0/s1
C36H42N4O546.74492200
58133910

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C36H42N4O/c1-2-5-11-20-39-22-16-29-28(31-32-27(15-19-37-31)26-13-7-8-14-30(26)38-32)23-35(17-9-3-1)33-34(29,25-39)24-36(41-35)18-10-4-6-12-21-40(33)36/h1,3,7-8,10,13-15,18-19,23,29,33,38H,2,4-6,9,11-12,16-17,20-22,24-25H2/b3-1+,18-10-/t29-,33+,34-,35-,36+/m0/s1
C36H42N4O546.74491100
13102511

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C36H42N4O/c1-2-5-11-20-39-22-16-29-28(31-32-27(15-19-37-31)26-13-7-8-14-30(26)38-32)23-35(17-9-3-1)33-34(29,25-39)24-36(41-35)18-10-4-6-12-21-40(33)36/h1,3,7-8,10,13-15,18-19,23,29,33,38H,2,4-6,9,11-12,16-17,20-22,24-25H2/b3-1-,18-10-/t29?,33-,34-,35-,36-/m0/s1
C36H42N4O546.74491100

Advertisement