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: C63H100O33 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28283613

31 of 38 defined stereocentres - 31/38 defined
InChI=1/C63H100O33/c1-22-32(71)34(73)36(75)51(88-22)91-42-29(69)18-85-50(39(42)78)90-41-23(2)89-52(37(76)35(41)74)94-45-33(72)28(68)17-86-54(45)96-56(83)63-12-11-57(3,4)13-25(63)24-9-10-30-58(5)14-27(67)48(59(6,19-64)46(58)26(66)15-61(30,8)60(24,7)16-31(63)70)95-53-40(79)43(38(77)44(93-53)49(81)82)92-55-47(80)62(84,20-65)21-87-55/h9,22-23,25-48,50-55,64-80,84H,10-21H2,1-8H3,(H,81,82)/t22-,23-,25?,26+,27-,28-,29?,30?,31+,32+,33-,34+,35-,36+,37+,38-,39-,40+,41+,42+,43+,44-,45+,46?,47?,48-,50-,51-,52-,53?,54+,55-,58+,59-,60+,61+,62?,63+/m0/s1
C63H100O331385.44831100
71044151

35 of 37 defined stereocentres - 35/37 defined
InChI=1/C63H100O33/c1-23-43(91-49-39(76)34(71)27(68)19-85-49)45(93-54-47(80)62(84,21-66)22-87-54)42(79)51(88-23)94-46-35(72)28(69)20-86-53(46)96-56(83)63-13-12-57(2,3)14-25(63)24-8-9-31-58(4)15-26(67)48(61(7,55(81)82)32(58)10-11-59(31,5)60(24,6)16-33(63)70)95-52-41(78)44(37(74)30(18-65)90-52)92-50-40(77)38(75)36(73)29(17-64)89-50/h8,23,25-54,64-80,84H,9-22H2,1-7H3,(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-,48-,49-,50-,51-,52-,53-,54-,58+,59+,60+,61-,62+,63+/m0/s1
C63H100O331385.44831200

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