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
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Found 3 results

Search term: HYOVTNBCVIWXTH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17468914

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H43NO6/c1-20(5-6-23-4-3-15-37-23)32-19-29-12-7-22(33)17-30(29,35)13-9-26-25(29)8-11-28(2)24(10-14-31(26,28)36)21-16-27(34)38-18-21/h3-4,15-16,19-20,22,24-26,33,35-36H,5-14,17-18H2,1-2H3/b32-19+/t20?,22-,24+,25-,26+,28+,29-,30-,31-/m0/s1
C31H43NO6525.67627500
71299267

Double-bond stereo

3 of 9 defined stereocentres - 3/9 defined
InChI=1/C31H43NO6/c1-20(5-6-23-4-3-15-37-23)32-19-29-12-7-22(33)17-30(29,35)13-9-26-25(29)8-11-28(2)24(10-14-31(26,28)36)21-16-27(34)38-18-21/h3-4,15-16,19-20,22,24-26,33,35-36H,5-14,17-18H2,1-2H3/b32-19+/t20?,22?,24?,25-,26?,28+,29-,30?,31?/m0/s1
C31H43NO6525.67626600
3059553

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H43NO6/c1-20(5-6-23-4-3-15-37-23)32-19-29-12-7-22(33)17-30(29,35)13-9-26-25(29)8-11-28(2)24(10-14-31(26,28)36)21-16-27(34)38-18-21/h3-4,15-16,19-20,22,24-26,33,35-36H,5-14,17-18H2,1-2H3/b32-19+
C31H43NO6525.67622100

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