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: NHOVENLMJPWCSK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28424346

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H56O3/c1-21(10-13-26-28(4,5)36-29(6,7)35-26)22-14-16-31(9)24-12-11-23-27(2,3)25(34)15-17-32(23)20-33(24,32)19-18-30(22,31)8/h21-26,34H,10-20H2,1-9H3/t21-,22-,23+,24+,25+,26+,30-,31+,32-,33+/m1/s1
C33H56O3500.7959161300
120331271

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C33H56O3/c1-21(10-13-26-28(4,5)36-29(6,7)35-26)22-14-16-31(9)24-12-11-23-27(2,3)25(34)15-17-32(23)20-33(24,32)19-18-30(22,31)8/h21-26,34H,10-20H2,1-9H3
C33H56O3500.79592200
129310711

4 of 10 defined stereocentres - 4/10 defined
InChI=1/C33H56O3/c1-21(10-13-26-28(4,5)36-29(6,7)35-26)22-14-16-31(9)24-12-11-23-27(2,3)25(34)15-17-32(23)20-33(24,32)19-18-30(22,31)8/h21-26,34H,10-20H2,1-9H3/t21?,22?,23?,24?,25?,26?,30-,31+,32-,33+/m1/s1
C33H56O3500.79591100
82964169

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H56O3/c1-21(10-13-26-28(4,5)36-29(6,7)35-26)22-14-16-31(9)24-12-11-23-27(2,3)25(34)15-17-32(23)20-33(24,32)19-18-30(22,31)8/h21-26,34H,10-20H2,1-9H3/t21-,22-,23+,24+,25+,26+,30-,31+,32-,33+/m0/s1
C33H56O3500.79591100
113611688

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H56O3/c1-21(10-13-26-28(4,5)36-29(6,7)35-26)22-14-16-31(9)24-12-11-23-27(2,3)25(34)15-17-32(23)20-33(24,32)19-18-30(22,31)8/h21-26,34H,10-20H2,1-9H3/t21-,22+,23+,24+,25+,26-,30-,31+,32+,33+/m1/s1
C33H56O3500.79591100
114815148

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H56O3/c1-21(10-13-26-28(4,5)36-29(6,7)35-26)22-14-16-31(9)24-12-11-23-27(2,3)25(34)15-17-32(23)20-33(24,32)19-18-30(22,31)8/h21-26,34H,10-20H2,1-9H3/t21-,22-,23+,24-,25+,26+,30+,31+,32+,33+/m1/s1
C33H56O3500.79591100

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