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 4 results

Search term: ZVNAOYPTGIUYRO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24645472

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H47NO4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)32-36-8)21(33)17-19-20-18-28(4,25(34)35)14-13-27(20,3)15-16-30(19,31)6/h17,20,22,24H,9-16,18H2,1-8H3,(H,34,35)/b32-23+/t20-,22-,24+,27+,28-,29-,30+,31+/m0/s1
C31H47NO4497.70923300
26353601

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H47NO4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)32-36-8)21(33)17-19-20-18-28(4,25(34)35)14-13-27(20,3)15-16-30(19,31)6/h17,20,22,24H,9-16,18H2,1-8H3,(H,34,35)/t20-,22-,24+,27+,28-,29-,30+,31+/m0/s1
C31H47NO4497.70922200
28942134

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C31H47NO4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)32-36-8)21(33)17-19-20-18-28(4,25(34)35)14-13-27(20,3)15-16-30(19,31)6/h17,20,22,24H,9-16,18H2,1-8H3,(H,34,35)/b32-23+/t20-,22-,24?,27+,28+,29-,30+,31+/m0/s1
C31H47NO4497.70922200
26601990

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C31H47NO4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)32-36-8)21(33)17-19-20-18-28(4,25(34)35)14-13-27(20,3)15-16-30(19,31)6/h17,20,22,24H,9-16,18H2,1-8H3,(H,34,35)/t20-,22?,24+,27+,28-,29-,30+,31+/m0/s1
C31H47NO4497.70921100

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