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 4 results

Search term: ZOQQFMKYEOHRMC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
167421

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H30O16.ClH/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9;/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33);1H/t8-,17+,18-,20+,21+,22-,23+,24+,26+,27+;/m0./s1
C27H31ClO16646.9784302500
82964844

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H30O16.ClH/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9;/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33);1H/t8-,17+,18-,20+,21+,22-,23+,24+,26+,27+;/m1./s1
C27H31ClO16646.97842100
113609615

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H30O16.ClH/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9;/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33);1H/t8-,17+,18-,20+,21-,22+,23-,24-,26-,27-;/m1./s1
C27H31ClO16646.97841100
67024683

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H30O16.ClH/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9;/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33);1H/t8-,17+,18-,20+,21+,22-,23+,24+,26+,27?;/m0./s1
C27H31ClO16646.978411000

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