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 2 results

Search term: OHOUQNMNTJVGSH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28432311

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C80H93Cl3N10O26/c1-31(2)17-45(86-7)71(104)92-61-63(99)36-12-15-49(43(82)20-36)114-51-22-38-23-52(67(51)119-78-68(65(101)64(100)53(30-94)116-78)118-56-28-80(6,70(103)33(4)113-56)87-29-34-9-8-10-39(81)18-34)115-50-16-13-37(21-44(50)83)66(117-55-27-79(5,85)69(102)32(3)112-55)62-76(109)91-60(77(110)111)42-24-40(95)25-48(97)57(42)41-19-35(11-14-47(41)96)58(73(106)93-62)90-74(107)59(38)89-72(105)46(26-54(84)98)88-75(61)108/h8-16,18-25,31-33,45-46,53,55-56,58-66,68-70,78,86-87,94-97,99-103H,17,26-30,85H2,1-7H3,(H2,84,98)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)/t32-,33-,45+,46-,53+,55-,56-,58+,59+,60+,61+,62-,63+,64+,65-,66+,68+,69+,70+,78-,79-,80-/m0/s1
C80H93Cl3N10O261717.00482200
17301877

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C80H93Cl3N10O26/c1-31(2)17-45(86-7)71(104)92-61-63(99)36-12-15-49(43(82)20-36)114-51-22-38-23-52(67(51)119-78-68(65(101)64(100)53(30-94)116-78)118-56-28-80(6,70(103)33(4)113-56)87-29-34-9-8-10-39(81)18-34)115-50-16-13-37(21-44(50)83)66(117-55-27-79(5,85)69(102)32(3)112-55)62-76(109)91-60(77(110)111)42-24-40(95)25-48(97)57(42)41-19-35(11-14-47(41)96)58(73(106)93-62)90-74(107)59(38)89-72(105)46(26-54(84)98)88-75(61)108/h8-16,18-25,31-33,45-46,53,55-56,58-66,68-70,78,86-87,94-97,99-103H,17,26-30,85H2,1-7H3,(H2,84,98)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)/t32-,33-,45+,46-,53+,55-,56-,58+,59+,60-,61+,62-,63+,64+,65-,66+,68+,69-,70-,78-,79-,80-/m0/s1
C80H93Cl3N10O261717.00481100

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