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: APSNPMVGBGZYAJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
84487416

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-16(42-18(20)7-12)11-3-4-13(29)17(5-11)38-2/h3-7,10,16,19,21-30,32-37H,8-9H2,1-2H3/t10-,16?,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
C28H34O15610.56065300
127384325

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-16(42-18(20)7-12)11-3-4-13(29)17(5-11)38-2/h3-7,10,16,19,21-30,32-37H,8-9H2,1-2H3/t10-,16?,19+,21-,22+,23+,24-,25-,26-,27+,28+/m0/s1
C28H34O15610.56061100
24846484

6 of 11 defined stereocentres - 6/11 defined
InChI=1/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-16(42-18(20)7-12)11-3-4-13(29)17(5-11)38-2/h3-7,10,16,19,21-30,32-37H,8-9H2,1-2H3/t10?,16?,19?,21-,22+,23?,24-,25-,26?,27+,28+/m0/s1
C28H34O15610.56061100

Advertisement