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 6 results

Search term: PKENJDOJIIJUMX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9367718

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H55NO8/c1-10-11-13-17(2)30(42-32(34)39)22(7)27(35)18(3)16-33(9,40)26-21(6)28(36)19(4)24(26)14-12-15-25-20(5)29(37)23(8)31(38)41-25/h10-14,17-30,35-37,40H,1,15-16H2,2-9H3,(H2,34,39)/b13-11-,14-12+/t17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,29-,30-,33+/m0/s1
C33H55NO8593.79172100
9551735

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H55NO8/c1-10-11-13-17(2)30(42-32(34)39)22(7)27(35)18(3)16-33(9,40)26-21(6)28(36)19(4)24(26)14-12-15-25-20(5)29(37)23(8)31(38)41-25/h10-14,17-30,35-37,40H,1,15-16H2,2-9H3,(H2,34,39)/b13-11-,14-12+/t17-,18+,19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,29-,30-,33-/m0/s1
C33H55NO8593.79172100
9574086

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H55NO8/c1-10-11-13-17(2)30(42-32(34)39)22(7)27(35)18(3)16-33(9,40)26-21(6)28(36)19(4)24(26)14-12-15-25-20(5)29(37)23(8)31(38)41-25/h10-14,17-30,35-37,40H,1,15-16H2,2-9H3,(H2,34,39)/b13-11-,14-12+/t17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,29-,30-,33-/m0/s1
C33H55NO8593.79172100
23339442

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H55NO8/c1-10-11-13-17(2)30(42-32(34)39)22(7)27(35)18(3)16-33(9,40)26-21(6)28(36)19(4)24(26)14-12-15-25-20(5)29(37)23(8)31(38)41-25/h10-14,17-30,35-37,40H,1,15-16H2,2-9H3,(H2,34,39)/b13-11-,14-12+/t17-,18-,19-,20-,21-,22-,23+,24-,25-,26-,27+,28-,29-,30-,33+/m0/s1
C33H55NO8593.79172200
23339443

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H55NO8/c1-10-11-13-17(2)30(42-32(34)39)22(7)27(35)18(3)16-33(9,40)26-21(6)28(36)19(4)24(26)14-12-15-25-20(5)29(37)23(8)31(38)41-25/h10-14,17-30,35-37,40H,1,15-16H2,2-9H3,(H2,34,39)/b13-11-,14-12+/t17-,18-,19-,20-,21-,22-,23+,24-,25-,26-,27+,28-,29-,30-,33-/m0/s1
C33H55NO8593.79172200
23339444

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H55NO8/c1-10-11-13-17(2)30(42-32(34)39)22(7)27(35)18(3)16-33(9,40)26-21(6)28(36)19(4)24(26)14-12-15-25-20(5)29(37)23(8)31(38)41-25/h10-14,17-30,35-37,40H,1,15-16H2,2-9H3,(H2,34,39)/b13-11-,14-12+/t17-,18+,19-,20-,21-,22-,23+,24-,25-,26-,27+,28-,29-,30-,33-/m0/s1
C33H55NO8593.79172200

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