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 6 results

Search term: XGMGGAPZYUWNMO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
60599940

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H30O14/c28-9-17-20(31)22(33)24(35)26(40-17)37-10-18-21(32)23(34)25(36)27(41-18)38-12-6-13(29)19-14(30)8-15(39-16(19)7-12)11-4-2-1-3-5-11/h1-8,17-18,20-29,31-36H,9-10H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
C27H30O14578.5187201900
82965844

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H30O14/c28-9-17-20(31)22(33)24(35)26(40-17)37-10-18-21(32)23(34)25(36)27(41-18)38-12-6-13(29)19-14(30)8-15(39-16(19)7-12)11-4-2-1-3-5-11/h1-8,17-18,20-29,31-36H,9-10H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m0/s1
C27H30O14578.51872100
128922239

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H30O14/c28-9-17-20(31)22(33)24(35)26(40-17)37-10-18-21(32)23(34)25(36)27(41-18)38-12-6-13(29)19-14(30)8-15(39-16(19)7-12)11-4-2-1-3-5-11/h1-8,17-18,20-29,31-36H,9-10H2/t17-,18+,20-,21+,22+,23-,24-,25+,26-,27+/m1/s1
C27H30O14578.51872200
24843226

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C27H30O14/c28-9-17-20(31)22(33)24(35)26(40-17)37-10-18-21(32)23(34)25(36)27(41-18)38-12-6-13(29)19-14(30)8-15(39-16(19)7-12)11-4-2-1-3-5-11/h1-8,17-18,20-29,31-36H,9-10H2/t17?,18?,20-,21-,22+,23+,24?,25?,26-,27-/m1/s1
C27H30O14578.51871100
113609275

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H30O14/c28-9-17-20(31)22(33)24(35)26(40-17)37-10-18-21(32)23(34)25(36)27(41-18)38-12-6-13(29)19-14(30)8-15(39-16(19)7-12)11-4-2-1-3-5-11/h1-8,17-18,20-29,31-36H,9-10H2/t17-,18-,20-,21-,22-,23-,24+,25+,26+,27+/m0/s1
C27H30O14578.51871100
128910363

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H30O14/c28-9-17-20(31)22(33)24(35)26(40-17)37-10-18-21(32)23(34)25(36)27(41-18)38-12-6-13(29)19-14(30)8-15(39-16(19)7-12)11-4-2-1-3-5-11/h1-8,17-18,20-29,31-36H,9-10H2/t17-,18-,20-,21-,22+,23+,24-,25-,26+,27?/m1/s1
C27H30O14578.51871100

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