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
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Found 2 results

Search term: C63H98O33 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
35518408

37 of 37 defined stereocentres - 37/37 defined
InChI=1/C63H98O33/c1-23-44(92-50-43(79)45(27(68)18-84-50)93-54-47(80)61(83,20-65)22-87-54)39(75)42(78)51(88-23)94-46-34(70)26(67)17-85-53(46)96-55(81)62-12-11-57(2,3)13-25(62)24-7-8-31-58(4)14-28-48(63(21-66,56(82)91-28)32(58)9-10-59(31,5)60(24,6)15-33(62)69)95-52-41(77)38(74)36(72)30(90-52)19-86-49-40(76)37(73)35(71)29(16-64)89-49/h7,23,25-54,64-80,83H,8-22H2,1-6H3/t23-,25-,26-,27+,28-,29+,30+,31+,32+,33+,34-,35+,36+,37-,38-,39-,40+,41+,42+,43+,44-,45-,46+,47-,48-,49+,50-,51-,52-,53-,54-,58+,59+,60+,61+,62+,63+/m0/s1
C63H98O331383.43241100
71044123

34 of 36 defined stereocentres - 34/36 defined
InChI=1/C63H98O33/c1-23-41(90-49-36(73)32(69)27(67)19-85-49)43(92-54-46(78)63(84,21-65)22-87-54)40(77)51(88-23)94-45-33(70)28(68)20-86-53(45)96-56(83)62-14-12-57(2,3)16-25(62)24-8-9-30-58(4)17-26(66)47(61(7,55(81)82)31(58)10-11-60(30,6)59(24,5)13-15-62)95-52-39(76)42(38(75)44(93-52)48(79)80)91-50-37(74)35(72)34(71)29(18-64)89-50/h8,23,25-47,49-54,64-78,84H,9-22H2,1-7H3,(H,79,80)(H,81,82)/t23-,25-,26-,27+,28-,29+,30?,31?,32-,33-,34+,35-,36+,37+,38-,39+,40+,41-,42-,43-,44-,45+,46-,47-,49-,50-,51-,52-,53-,54-,58+,59+,60+,61-,62-,63+/m0/s1
C63H98O331383.43241300

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