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 3 results

Search term: 121584-52-9 (Found by synonym)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9472798

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C62H109N11O14/c1-25-43-58(82)67(18)32-48(76)68(19)44(28-33(2)3)55(79)66-49(37(10)11)61(85)69(20)45(29-34(4)5)54(78)63-40(15)53(77)64-41(16)57(81)70(21)46(30-35(6)7)59(83)71(22)47(31-36(8)9)60(84)72(23)50(38(12)13)62(86)73(24)51(56(80)65-43)52(87-42(17)75)39(14)26-27-74/h27,33-41,43-47,49-52H,25-26,28-32H2,1-24H3,(H,63,78)(H,64,77)(H,65,80)(H,66,79)/t39-,40+,41-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
C62H109N11O141232.594212800
57261545

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C29H53N3O6/c1-19(2)18-23(30-7)29(37)31-26(20(3)4)24(35)14-12-10-11-13-15-25(36)27(32(8)9)28(38-22(6)34)21(5)16-17-33/h17,19-21,23,26-28,30H,10-16,18H2,1-9H3,(H,31,37)/t21-,23+,26+,27?,28?/m1/s1
C29H53N3O6539.74765500
57425633

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C62H109N11O14/c1-25-43-58(82)67(18)32-48(76)68(19)44(28-33(2)3)55(79)66-49(37(10)11)61(85)69(20)45(29-34(4)5)54(78)63-40(15)53(77)64-41(16)57(81)70(21)46(30-35(6)7)59(83)71(22)47(31-36(8)9)60(84)72(23)50(38(12)13)62(86)73(24)51(56(80)65-43)52(87-42(17)75)39(14)26-27-74/h27,33-41,43-47,49-52H,25-26,28-32H2,1-24H3,(H,63,78)(H,64,77)(H,65,80)(H,66,79)/t39-,40+,41-,43+,44+,45+,46+,47+,49+,50+,51?,52-/m1/s1
C62H109N11O141232.59421100

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