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: LCADVYTXPLBAGB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4940692

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C32H45NO3/c1-24(15-11-8-7-9-12-16-26(3)32(36)33-29(6)23-34)21-27(4)31(35)28(5)22-25(2)19-20-30-17-13-10-14-18-30/h7-18,21-22,25,27,29,31,34-35H,19-20,23H2,1-6H3,(H,33,36)/b8-7-,12-9+,15-11+,24-21+,26-16+,28-22+/t25-,27+,29-,31+/m0/s1
C32H45NO3491.70468600
4578299

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C32H45NO3/c1-24(15-11-8-7-9-12-16-26(3)32(36)33-29(6)23-34)21-27(4)31(35)28(5)22-25(2)19-20-30-17-13-10-14-18-30/h7-18,21-22,25,27,29,31,34-35H,19-20,23H2,1-6H3,(H,33,36)/b8-7-,12-9+,15-11+,24-21+,26-16+,28-22+
C32H45NO3491.70465400
5020499

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C32H45NO3/c1-24(15-11-8-7-9-12-16-26(3)32(36)33-29(6)23-34)21-27(4)31(35)28(5)22-25(2)19-20-30-17-13-10-14-18-30/h7-18,21-22,25,27,29,31,34-35H,19-20,23H2,1-6H3,(H,33,36)/b8-7+,12-9+,15-11+,24-21+,26-16+,28-22+/t25-,27+,29-,31+/m0/s1
C32H45NO3491.70464300
331589

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C32H45NO3/c1-24(15-11-8-7-9-12-16-26(3)32(36)33-29(6)23-34)21-27(4)31(35)28(5)22-25(2)19-20-30-17-13-10-14-18-30/h7-18,21-22,25,27,29,31,34-35H,19-20,23H2,1-6H3,(H,33,36)
C32H45NO3491.70463100
8089196

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C32H45NO3/c1-24(15-11-8-7-9-12-16-26(3)32(36)33-29(6)23-34)21-27(4)31(35)28(5)22-25(2)19-20-30-17-13-10-14-18-30/h7-18,21-22,25,27,29,31,34-35H,19-20,23H2,1-6H3,(H,33,36)/b8-7+,12-9+,15-11+,24-21-,26-16+,28-22+/t25?,27-,29+,31-/m1/s1
C32H45NO3491.70462100
78442745

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C32H45NO3/c1-24(15-11-8-7-9-12-16-26(3)32(36)33-29(6)23-34)21-27(4)31(35)28(5)22-25(2)19-20-30-17-13-10-14-18-30/h7-18,21-22,25,27,29,31,34-35H,19-20,23H2,1-6H3,(H,33,36)/b8-7+,12-9-,15-11+,24-21+,26-16+,28-22+/t25-,27+,29-,31+/m0/s1
C32H45NO3491.70461100

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