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 4 results

Search term: FCANTWZHYAQEKU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22842407

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C38H38O16/c1-13(51-15(3)39)27-33(5,49)11-21(41)35-31(47)23-19(29(45)37(27,35)53-35)9-7-17(25(23)43)18-8-10-20-24(26(18)44)32(48)36-22(42)12-34(6,50)28(14(2)52-16(4)40)38(36,54-36)30(20)46/h7-10,13-14,27-28,31-32,43-44,47-50H,11-12H2,1-6H3/t13-,14?,27+,28+,31-,32-,33+,34+,35-,36-,37+,38+/m1/s1
C38H38O16750.69875200
59702097

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C38H38O16/c1-13(51-15(3)39)27-33(5,49)11-21(41)35-31(47)23-19(29(45)37(27,35)53-35)9-7-17(25(23)43)18-8-10-20-24(26(18)44)32(48)36-22(42)12-34(6,50)28(14(2)52-16(4)40)38(36,54-36)30(20)46/h7-10,13-14,27-28,31-32,43-44,47-50H,11-12H2,1-6H3/t13-,14-,27-,28+,31-,32-,33+,34+,35+,36-,37-,38+/m1/s1
C38H38O16750.69872100
90606667

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C38H38O16/c1-13(51-15(3)39)27-33(5,49)11-21(41)35-31(47)23-19(29(45)37(27,35)53-35)9-7-17(25(23)43)18-8-10-20-24(26(18)44)32(48)36-22(42)12-34(6,50)28(14(2)52-16(4)40)38(36,54-36)30(20)46/h7-10,13-14,27-28,31-32,43-44,47-50H,11-12H2,1-6H3/t13-,14-,27+,28+,31+,32+,33+,34+,35-,36-,37+,38+/m1/s1
C38H38O16750.69872200
127384475

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C38H38O16/c1-13(51-15(3)39)27-33(5,49)11-21(41)35-31(47)23-19(29(45)37(27,35)53-35)9-7-17(25(23)43)18-8-10-20-24(26(18)44)32(48)36-22(42)12-34(6,50)28(14(2)52-16(4)40)38(36,54-36)30(20)46/h7-10,13-14,27-28,31-32,43-44,47-50H,11-12H2,1-6H3/t13-,14?,27-,28+,31-,32-,33+,34-,35+,36+,37+,38+/m1/s1
C38H38O16750.69871100

Advertisement