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 5 results

Search term: SQWCZHHKSPFEOI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23311619

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C38H62O12/c1-18-7-12-38(46-16-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)47-35-32(44)30(42)33(27(15-39)48-35)49-34-31(43)29(41)25(40)17-45-34/h18-35,39-44H,5-17H2,1-4H3/t18-,19-,20+,21-,22+,23-,24-,25+,26-,27+,28-,29-,30+,31+,32+,33+,34-,35+,36-,37-,38+/m0/s1
C38H62O12710.89175500
88297112

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C38H62O12/c1-18-7-12-38(46-16-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)47-35-32(44)30(42)33(27(15-39)48-35)49-34-31(43)29(41)25(40)17-45-34/h18-35,39-44H,5-17H2,1-4H3/t18-,19-,20-,21+,22+,23-,24-,25+,26-,27+,28-,29-,30+,31+,32+,33+,34-,35+,36-,37-,38+/m0/s1
C38H62O12710.89174300
135287

16 of 21 defined stereocentres - 16/21 defined
InChI=1/C38H62O12/c1-18-7-12-38(46-16-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)47-35-32(44)30(42)33(27(15-39)48-35)49-34-31(43)29(41)25(40)17-45-34/h18-35,39-44H,5-17H2,1-4H3/t18-,19-,20?,21?,22?,23?,24?,25+,26-,27+,28-,29-,30+,31+,32+,33+,34-,35+,36-,37-,38+/m0/s1
C38H62O12710.89172200
4885074

12 of 21 defined stereocentres - 12/21 defined
InChI=1/C38H62O12/c1-18-7-12-38(46-16-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)47-35-32(44)30(42)33(27(15-39)48-35)49-34-31(43)29(41)25(40)17-45-34/h18-35,39-44H,5-17H2,1-4H3/t18?,19-,20?,21?,22?,23?,24-,25+,26?,27+,28-,29+,30-,31+,32+,33+,34-,35+,36?,37?,38?/m0/s1
C38H62O12710.89172200
19987469

18 of 21 defined stereocentres - 18/21 defined
InChI=1/C38H62O12/c1-18-7-12-38(46-16-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)47-35-32(44)30(42)33(27(15-39)48-35)49-34-31(43)29(41)25(40)17-45-34/h18-35,39-44H,5-17H2,1-4H3/t18?,19-,20?,21?,22+,23-,24-,25+,26-,27+,28-,29-,30+,31+,32+,33+,34-,35+,36-,37-,38+/m0/s1
C38H62O12710.89171100

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