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: ZYJKKAOXNQVUMQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58802282

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O22/c34-6-13-17(38)22(43)25(46)31(51-13)50-12-5-11-16(20(41)29(12)54-32-26(47)23(44)18(39)14(7-35)52-32)21(42)30(28(49-11)9-1-3-10(37)4-2-9)55-33-27(48)24(45)19(40)15(8-36)53-33/h1-5,13-15,17-19,22-27,31-41,43-48H,6-8H2/t13-,14-,15-,17-,18-,19-,22+,23+,24+,25-,26-,27-,31-,32+,33+/m1/s1
C33H40O22788.6575131300
82965986

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O22/c34-6-13-17(38)22(43)25(46)31(51-13)50-12-5-11-16(20(41)29(12)54-32-26(47)23(44)18(39)14(7-35)52-32)21(42)30(28(49-11)9-1-3-10(37)4-2-9)55-33-27(48)24(45)19(40)15(8-36)53-33/h1-5,13-15,17-19,22-27,31-41,43-48H,6-8H2/t13-,14-,15-,17-,18-,19-,22+,23+,24+,25-,26-,27-,31-,32+,33+/m0/s1
C33H40O22788.65753200
82965039

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O22/c34-6-13-17(38)22(43)25(46)31(51-13)50-12-5-11-16(20(41)29(12)54-32-26(47)23(44)18(39)14(7-35)52-32)21(42)30(28(49-11)9-1-3-10(37)4-2-9)55-33-27(48)24(45)19(40)15(8-36)53-33/h1-5,13-15,17-19,22-27,31-41,43-48H,6-8H2/t13-,14+,15+,17-,18+,19+,22+,23-,24-,25-,26+,27+,31-,32-,33-/m1/s1
C33H40O22788.65752100
113609770

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O22/c34-6-13-17(38)22(43)25(46)31(51-13)50-12-5-11-16(20(41)29(12)54-32-26(47)23(44)18(39)14(7-35)52-32)21(42)30(28(49-11)9-1-3-10(37)4-2-9)55-33-27(48)24(45)19(40)15(8-36)53-33/h1-5,13-15,17-19,22-27,31-41,43-48H,6-8H2/t13-,14+,15+,17-,18+,19+,22-,23-,24-,25+,26-,27-,31+,32+,33+/m0/s1
C33H40O22788.65751100
114642690

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H40O22/c34-6-13-17(38)22(43)25(46)31(51-13)50-12-5-11-16(20(41)29(12)54-32-26(47)23(44)18(39)14(7-35)52-32)21(42)30(28(49-11)9-1-3-10(37)4-2-9)55-33-27(48)24(45)19(40)15(8-36)53-33/h1-5,13-15,17-19,22-27,31-41,43-48H,6-8H2/t13-,14-,15-,17-,18+,19+,22+,23+,24+,25-,26-,27-,31+,32+,33+/m1/s1
C33H40O22788.65751100
24845435

8 of 15 defined stereocentres - 8/15 defined
InChI=1/C33H40O22/c34-6-13-17(38)22(43)25(46)31(51-13)50-12-5-11-16(20(41)29(12)54-32-26(47)23(44)18(39)14(7-35)52-32)21(42)30(28(49-11)9-1-3-10(37)4-2-9)55-33-27(48)24(45)19(40)15(8-36)53-33/h1-5,13-15,17-19,22-27,31-41,43-48H,6-8H2/t13?,14?,15?,17-,18-,19-,22+,23+,24?,25?,26?,27?,31-,32+,33+/m1/s1
C33H40O22788.65751100

Advertisement