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 9 results

Search term: IBDXZWQCLMSDKQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
248242

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C27H46O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27-16-19(27)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3
C27H46O386.65356600
10308636

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H46O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27-16-19(27)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
C27H46O386.65355500
144328

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H46O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27-16-19(27)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19?,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1
C27H46O386.65353300
22889488

1 of 10 defined stereocentres - 1/10 defined
InChI=1/C27H46O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27-16-19(27)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18?,19-,20?,21?,22?,23?,24?,25?,26?,27?/m1/s1
C27H46O386.65352100
8843314

10 of 10 defined stereocentres - 10/10 defined

Non-standard isotope
InChI=1/C27H46O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27-16-19(27)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1/i24D
C27H45DO387.65972200
9048040

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H46O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27-16-19(27)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1
C27H46O386.65352100
9603999

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H46O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27-16-19(27)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27?/m1/s1
C27H46O386.65352100
9933314

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H46O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27-16-19(27)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19?,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
C27H46O386.65351100
8184684

8 of 10 defined stereocentres - 8/10 defined

Non-standard isotope
InChI=1/C27H46O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27-16-19(27)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19?,20+,21-,22+,23+,24-,25-,26-,27?/m1/s1/i16D/t16-,18-,19?,20+,21-,22+,23+,24-,25-,26-,27?
C27H45DO387.65971100

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