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: YFHYWHWBWQBXAP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9675697

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O4/c1-2-14(21)9-6-4-3-5-7-10-15-16(13-18-20(15)24-18)17-11-8-12-19(22)23-17/h3-4,6-7,9-10,14-18,20-21H,2,5,8,11-13H2,1H3/b4-3-,9-6+,10-7+/t14-,15+,16-,17-,18-,20+/m0/s1
C20H28O4332.43394300
10476184

Double-bond stereo

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C20H28O4/c1-2-14(21)9-6-4-3-5-7-10-15-16(13-18-20(15)24-18)17-11-8-12-19(22)23-17/h3-4,6-7,9-10,14-18,20-21H,2,5,8,11-13H2,1H3/b4-3-,9-6+,10-7+/t14-,15?,16?,17?,18?,20?/m0/s1
C20H28O4332.43392200
28283100

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O4/c1-2-14(21)9-6-4-3-5-7-10-15-16(13-18-20(15)24-18)17-11-8-12-19(22)23-17/h3-4,6-7,9-10,14-18,20-21H,2,5,8,11-13H2,1H3/b4-3-,9-6+,10-7+/t14-,15+,16-,17+,18-,20+/m0/s1
C20H28O4332.43391100
28286026

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H28O4/c1-2-14(21)9-6-4-3-5-7-10-15-16(13-18-20(15)24-18)17-11-8-12-19(22)23-17/h3-4,6-7,9-10,14-18,20-21H,2,5,8,11-13H2,1H3/b4-3-,9-6+,10-7+/t14-,15+,16-,17?,18-,20+/m0/s1
C20H28O4332.43391100
113371077

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O4/c1-2-14(21)9-6-4-3-5-7-10-15-16(13-18-20(15)24-18)17-11-8-12-19(22)23-17/h3-4,6-7,9-10,14-18,20-21H,2,5,8,11-13H2,1H3/b4-3-,9-6+,10-7+/t14-,15+,16-,17-,18+,20-/m0/s1
C20H28O4332.43391100

Advertisement