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: GTYIUTOQPWAZKO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9235975

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H40O12/c1-13-20(37-16(4)30)11-22(39-18(6)32)27(7)21(38-17(5)31)9-8-19(12-36-15(3)29)10-23-28(35,25(33)24(13)27)14(2)26(34)40-23/h10,13-14,20-25,33,35H,8-9,11-12H2,1-7H3/b19-10+/t13-,14-,20+,21-,22-,23-,24+,25+,27-,28-/m0/s1
C28H40O12568.612100
29213064

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H40O12/c1-13-20(37-16(4)30)11-22(39-18(6)32)27(7)21(38-17(5)31)9-8-19(12-36-15(3)29)10-23-28(35,25(33)24(13)27)14(2)26(34)40-23/h10,13-14,20-25,33,35H,8-9,11-12H2,1-7H3/b19-10+/t13-,14-,20-,21+,22-,23-,24+,25+,27-,28-/m0/s1
C28H40O12568.612200
10282213

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H40O12/c1-13-20(37-16(4)30)11-22(39-18(6)32)27(7)21(38-17(5)31)9-8-19(12-36-15(3)29)10-23-28(35,25(33)24(13)27)14(2)26(34)40-23/h10,13-14,20-25,33,35H,8-9,11-12H2,1-7H3/b19-10+/t13-,14-,20+,21-,22-,23-,24+,25-,27-,28-/m0/s1
C28H40O12568.611100

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