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: PKDAPACDVZFLFV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9357343

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C48H81N3O18/c1-30(2)42(48(62)63)51-41(59)28-22-26-39(65-32(4)53)44(67-34(6)55)46(69-36(8)57)45(68-35(7)56)43(66-33(5)54)38(64-31(3)52)25-20-18-16-14-12-10-9-11-13-15-17-19-21-27-40(58)50-37(47(60)61)24-23-29-49/h30,37-39,42-46H,9-29,49H2,1-8H3,(H,50,58)(H,51,59)(H,60,61)(H,62,63)/t37-,38?,39?,42-,43?,44?,45?,46?/m0/s1
C48H81N3O18988.1664300
10481627

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C48H81N3O18/c1-30(2)42(48(62)63)51-41(59)28-22-26-39(65-32(4)53)44(67-34(6)55)46(69-36(8)57)45(68-35(7)56)43(66-33(5)54)38(64-31(3)52)25-20-18-16-14-12-10-9-11-13-15-17-19-21-27-40(58)50-37(47(60)61)24-23-29-49/h30,37-39,42-46H,9-29,49H2,1-8H3,(H,50,58)(H,51,59)(H,60,61)(H,62,63)/t37-,38-,39-,42-,43+,44-,45+,46-/m0/s1
C48H81N3O18988.1663300
17238159

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C48H81N3O18/c1-30(2)42(48(62)63)51-41(59)28-22-26-39(65-32(4)53)44(67-34(6)55)46(69-36(8)57)45(68-35(7)56)43(66-33(5)54)38(64-31(3)52)25-20-18-16-14-12-10-9-11-13-15-17-19-21-27-40(58)50-37(47(60)61)24-23-29-49/h30,37-39,42-46H,9-29,49H2,1-8H3,(H,50,58)(H,51,59)(H,60,61)(H,62,63)/t37-,38+,39-,42-,43-,44-,45-,46-/m0/s1
C48H81N3O18988.1662234
27024904

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C48H81N3O18/c1-30(2)42(48(62)63)51-41(59)28-22-26-39(65-32(4)53)44(67-34(6)55)46(69-36(8)57)45(68-35(7)56)43(66-33(5)54)38(64-31(3)52)25-20-18-16-14-12-10-9-11-13-15-17-19-21-27-40(58)50-37(47(60)61)24-23-29-49/h30,37-39,42-46H,9-29,49H2,1-8H3,(H,50,58)(H,51,59)(H,60,61)(H,62,63)/t37-,38-,39-,42-,43-,44-,45-,46-/m0/s1
C48H81N3O18988.1662200

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