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 10 results

Search term: XPNCKFMJHYMAMG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2124367

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C25H29NO3/c1-17-14-18(2)25(16-29-24(27)26-21-12-8-5-9-13-21)15-28-23(22(17)19(25)3)20-10-6-4-7-11-20/h4-14,18-19,22-23H,15-16H2,1-3H3,(H,26,27)
C25H29NO3391.50266171100
17460758

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C25H29NO3/c1-17-14-18(2)25(16-29-24(27)26-21-12-8-5-9-13-21)15-28-23(22(17)19(25)3)20-10-6-4-7-11-20/h4-14,18-19,22-23H,15-16H2,1-3H3,(H,26,27)/t18?,19?,22-,23?,25-/m0/s1
C25H29NO3391.50275100
864685

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H29NO3/c1-17-14-18(2)25(16-29-24(27)26-21-12-8-5-9-13-21)15-28-23(22(17)19(25)3)20-10-6-4-7-11-20/h4-14,18-19,22-23H,15-16H2,1-3H3,(H,26,27)/t18-,19-,22-,23+,25-/m1/s1
C25H29NO3391.50272100
1016328

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H29NO3/c1-17-14-18(2)25(16-29-24(27)26-21-12-8-5-9-13-21)15-28-23(22(17)19(25)3)20-10-6-4-7-11-20/h4-14,18-19,22-23H,15-16H2,1-3H3,(H,26,27)/t18-,19-,22+,23-,25+/m1/s1
C25H29NO3391.50272100
5344711

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H29NO3/c1-17-14-18(2)25(16-29-24(27)26-21-12-8-5-9-13-21)15-28-23(22(17)19(25)3)20-10-6-4-7-11-20/h4-14,18-19,22-23H,15-16H2,1-3H3,(H,26,27)/t18-,19-,22+,23+,25+/m1/s1
C25H29NO3391.50272100
5428652

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H29NO3/c1-17-14-18(2)25(16-29-24(27)26-21-12-8-5-9-13-21)15-28-23(22(17)19(25)3)20-10-6-4-7-11-20/h4-14,18-19,22-23H,15-16H2,1-3H3,(H,26,27)/t18-,19+,22-,23-,25-/m0/s1
C25H29NO3391.50272100
5428653

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H29NO3/c1-17-14-18(2)25(16-29-24(27)26-21-12-8-5-9-13-21)15-28-23(22(17)19(25)3)20-10-6-4-7-11-20/h4-14,18-19,22-23H,15-16H2,1-3H3,(H,26,27)/t18-,19+,22-,23+,25-/m0/s1
C25H29NO3391.50272100
10063678

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H29NO3/c1-17-14-18(2)25(16-29-24(27)26-21-12-8-5-9-13-21)15-28-23(22(17)19(25)3)20-10-6-4-7-11-20/h4-14,18-19,22-23H,15-16H2,1-3H3,(H,26,27)/t18-,19+,22+,23-,25+/m1/s1
C25H29NO3391.50272100
10063679

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H29NO3/c1-17-14-18(2)25(16-29-24(27)26-21-12-8-5-9-13-21)15-28-23(22(17)19(25)3)20-10-6-4-7-11-20/h4-14,18-19,22-23H,15-16H2,1-3H3,(H,26,27)/t18-,19-,22-,23+,25-/m0/s1
C25H29NO3391.50272100

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