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 8 results

Search term: FYBFDIIAPRHIQS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4946020

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H28O6S/c21-14(12-26-15-9-10-27-13-15)7-8-17-16(18(22)11-19(17)23)5-3-1-2-4-6-20(24)25/h1,3,7-10,13-14,16-19,21-23H,2,4-6,11-12H2,(H,24,25)/b3-1-,8-7+/t14?,16-,17-,18+,19-/m1/s1
C20H28O6S396.4977273231
72390976

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H28O6S/c21-14(12-26-15-9-10-27-13-15)7-8-17-16(18(22)11-19(17)23)5-3-1-2-4-6-20(24)25/h1,3,7-10,13-14,16-19,21-23H,2,4-6,11-12H2,(H,24,25)/b3-1+,8-7u
C20H28O6S396.49776600
27471547

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H28O6S/c21-14(12-26-15-9-10-27-13-15)7-8-17-16(18(22)11-19(17)23)5-3-1-2-4-6-20(24)25/h1,3,7-10,13-14,16-19,21-23H,2,4-6,11-12H2,(H,24,25)/b3-1-,8-7+/t14-,16-,17-,18+,19-/m1/s1
C20H28O6S396.49774300
32698759

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H28O6S/c21-14(12-26-15-9-10-27-13-15)7-8-17-16(18(22)11-19(17)23)5-3-1-2-4-6-20(24)25/h1,3,7-10,13-14,16-19,21-23H,2,4-6,11-12H2,(H,24,25)/b3-1-,8-7?/t14?,16-,17-,18+,19-/m1/s1
C20H28O6S396.49772200
7997854

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H28O6S/c21-14(12-26-15-9-10-27-13-15)7-8-17-16(18(22)11-19(17)23)5-3-1-2-4-6-20(24)25/h1,3,7-10,13-14,16-19,21-23H,2,4-6,11-12H2,(H,24,25)/b3-1+,8-7+/t14-,16-,17-,18+,19-/m1/s1
C20H28O6S396.49772100
103885774

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H28O6S/c21-14(12-26-15-9-10-27-13-15)7-8-17-16(18(22)11-19(17)23)5-3-1-2-4-6-20(24)25/h1,3,7-10,13-14,16-19,21-23H,2,4-6,11-12H2,(H,24,25)
C20H28O6S396.49772100
129307549

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H28O6S/c21-14(12-26-15-9-10-27-13-15)7-8-17-16(18(22)11-19(17)23)5-3-1-2-4-6-20(24)25/h1,3,7-10,13-14,16-19,21-23H,2,4-6,11-12H2,(H,24,25)/b3-1-,8-7+
C20H28O6S396.49771100
34988422

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H28O6S/c21-14(12-26-15-9-10-27-13-15)7-8-17-16(18(22)11-19(17)23)5-3-1-2-4-6-20(24)25/h1,3,7-10,13-14,16-19,21-23H,2,4-6,11-12H2,(H,24,25)/b3-1-,8-7+/t14-,16+,17+,18-,19+/m0/s1
C20H28O6S396.49771100

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