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 6 results

Search term: QCUVHQFXYHRYHX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8025474

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C27H30N2O9/c1-10-21(31)13-7-15-20-19-14(22(32)11(2)26(37-6)24(19)34)8-16(28(20)4)27(35)29(15)17(9-38-12(3)30)18(13)23(33)25(10)36-5/h15-17,20,27,35H,7-9H2,1-6H3/t15-,16?,17-,20?,27-/m0/s1
C27H30N2O9526.53515739
10478273

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H30N2O9/c1-10-21(31)13-7-15-20-19-14(22(32)11(2)26(37-6)24(19)34)8-16(28(20)4)27(35)29(15)17(9-38-12(3)30)18(13)23(33)25(10)36-5/h15-17,20,27,35H,7-9H2,1-6H3/t15-,16-,17-,20-,27-/m0/s1
C27H30N2O9526.53515500
9874058

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C27H30N2O9/c1-10-21(31)13-7-15-20-19-14(22(32)11(2)26(37-6)24(19)34)8-16(28(20)4)27(35)29(15)17(9-38-12(3)30)18(13)23(33)25(10)36-5/h15-17,20,27,35H,7-9H2,1-6H3/t15-,16?,17+,20?,27+/m1/s1
C27H30N2O9526.53512100
8025473

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C27H30N2O9/c1-10-21(31)13-7-15-20-19-14(22(32)11(2)26(37-6)24(19)34)8-16(28(20)4)27(35)29(15)17(9-38-12(3)30)18(13)23(33)25(10)36-5/h15-17,20,27,35H,7-9H2,1-6H3
C27H30N2O9526.53512100
30809607

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H30N2O9/c1-10-21(31)13-7-15-20-19-14(22(32)11(2)26(37-6)24(19)34)8-16(28(20)4)27(35)29(15)17(9-38-12(3)30)18(13)23(33)25(10)36-5/h15-17,20,27,35H,7-9H2,1-6H3/t15-,16+,17+,20+,27+/m1/s1
C27H30N2O9526.53512200
13080431

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H30N2O9/c1-10-21(31)13-7-15-20-19-14(22(32)11(2)26(37-6)24(19)34)8-16(28(20)4)27(35)29(15)17(9-38-12(3)30)18(13)23(33)25(10)36-5/h15-17,20,27,35H,7-9H2,1-6H3/t15-,16+,17+,20-,27+/m1/s1
C27H30N2O9526.53511100

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