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 4 results

Search term: CYJAFXVWQWMEGQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8458521

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C40H48N4O4/c1-27(45)47-34-16-13-15-30-31-17-20-41-36(37(31)42-35(30)34)32-25-40(48-28(2)46)19-10-6-3-4-7-11-21-43-23-18-33(32)39(26-43)24-29-14-9-5-8-12-22-44(29)38(39)40/h3,6,9,13-17,20,25,29,33,38,42H,4-5,7-8,10-12,18-19,21-24,26H2,1-2H3/b6-3-,14-9-/t29-,33-,38+,39-,40-/m1/s1
C40H48N4O4648.83354300
23341464

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C40H48N4O4/c1-27(45)47-34-16-13-15-30-31-17-20-41-36(37(31)42-35(30)34)32-25-40(48-28(2)46)19-10-6-3-4-7-11-21-43-23-18-33(32)39(26-43)24-29-14-9-5-8-12-22-44(29)38(39)40/h3,6,9,13-17,20,25,29,33,38,42H,4-5,7-8,10-12,18-19,21-24,26H2,1-2H3/b6-3-,14-9-/t29-,33-,38+,39-,40-/m0/s1
C40H48N4O4648.83352200
58131612

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C40H48N4O4/c1-27(45)47-34-16-13-15-30-31-17-20-41-36(37(31)42-35(30)34)32-25-40(48-28(2)46)19-10-6-3-4-7-11-21-43-23-18-33(32)39(26-43)24-29-14-9-5-8-12-22-44(29)38(39)40/h3,6,9,13-17,20,25,29,33,38,42H,4-5,7-8,10-12,18-19,21-24,26H2,1-2H3/b6-3+,14-9-/t29-,33-,38+,39-,40-/m1/s1
C40H48N4O4648.83351100
58133898

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C40H48N4O4/c1-27(45)47-34-16-13-15-30-31-17-20-41-36(37(31)42-35(30)34)32-25-40(48-28(2)46)19-10-6-3-4-7-11-21-43-23-18-33(32)39(26-43)24-29-14-9-5-8-12-22-44(29)38(39)40/h3,6,9,13-17,20,25,29,33,38,42H,4-5,7-8,10-12,18-19,21-24,26H2,1-2H3/b6-3+,14-9-/t29-,33-,38+,39-,40-/m0/s1
C40H48N4O4648.83351100

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