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: PNJDDNGAXOYFJN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10258014

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C27H46O4/c1-15(2)22(29)7-6-16(3)20-14-24(31)25-18-13-23(30)21-12-17(28)8-10-26(21,4)19(18)9-11-27(20,25)5/h6-7,15-25,28-31H,8-14H2,1-5H3/b7-6+/t16-,17+,18-,19+,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
C27H46O4434.65176600
8270017

Double-bond stereo

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C27H46O4/c1-15(2)22(29)7-6-16(3)20-14-24(31)25-18-13-23(30)21-12-17(28)8-10-26(21,4)19(18)9-11-27(20,25)5/h6-7,15-25,28-31H,8-14H2,1-5H3/b7-6+/t16-,17+,18-,19?,20?,21?,22+,23+,24-,25?,26-,27-/m1/s1
C27H46O4434.65172100
9136273

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C27H46O4/c1-15(2)22(29)7-6-16(3)20-14-24(31)25-18-13-23(30)21-12-17(28)8-10-26(21,4)19(18)9-11-27(20,25)5/h6-7,15-25,28-31H,8-14H2,1-5H3/b7-6+/t16-,17+,18-,19+,20-,21?,22+,23+,24-,25-,26-,27-/m1/s1
C27H46O4434.65172100

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