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 3 results

Search term: WCRNOLFPASINGX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7968646

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C46H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)62-38(36-60-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)37-61-68(58,59)65-44-41(49)42(50)45(63-66(52,53)54)46(43(44)51)64-67(55,56)57/h11,13,17,19,21,23,27,29,38,41-46,49-51H,3-10,12,14-16,18,20,22,24-26,28,30-37H2,1-2H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/b13-11-,19-17-,23-21-,29-27-/t38-,41?,42+,43?,44-,45?,46?/m1/s1
C46H83O19P31033.06111100
113378832

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)62-38(36-60-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)37-61-68(58,59)65-44-41(49)42(50)45(63-66(52,53)54)46(43(44)51)64-67(55,56)57/h11,13,17,19,21,23,27,29,38,41-46,49-51H,3-10,12,14-16,18,20,22,24-26,28,30-37H2,1-2H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/b13-11-,19-17-,23-21-,29-27-/t38-,41-,42-,43+,44+,45+,46+/m1/s1
C46H83O19P31033.06111100
113378834

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)62-38(36-60-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)37-61-68(58,59)65-44-41(49)42(50)45(63-66(52,53)54)46(43(44)51)64-67(55,56)57/h11,13,17,19,21,23,27,29,38,41-46,49-51H,3-10,12,14-16,18,20,22,24-26,28,30-37H2,1-2H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/b13-11-,19-17-,23-21-,29-27-/t38-,41-,42+,43+,44-,45-,46-/m1/s1
C46H83O19P31033.06111100

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