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 5 results

Search term: LLLVDBJEAPYRRR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5373428

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C23H21NO4S/c25-22(26)12-16(11-15-9-10-29-14-15)24-23(27)28-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,14,16,21H,11-13H2,(H,24,27)(H,25,26)/t16-/m1/s1
C23H21NO4S407.4821412900
2042415

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C23H21NO4S/c25-22(26)12-16(11-15-9-10-29-14-15)24-23(27)28-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,14,16,21H,11-13H2,(H,24,27)(H,25,26)/t16-/m0/s1
C23H21NO4S407.48214392700
26462736

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C23H21NO4S/c25-22(26)12-16(11-15-9-10-29-14-15)24-23(27)28-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,14,16,21H,11-13H2,(H,24,27)(H,25,26)
C23H21NO4S407.482171000
5373427

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C23H21NO4S/c25-22(26)12-16(11-15-9-10-29-14-15)24-23(27)28-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,14,16,21H,11-13H2,(H,24,27)(H,25,26)/p-1/t16-/m1/s1
C23H20NO4S406.47471100
5384831

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C23H21NO4S/c25-22(26)12-16(11-15-9-10-29-14-15)24-23(27)28-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,14,16,21H,11-13H2,(H,24,27)(H,25,26)/p-1/t16-/m0/s1
C23H20NO4S406.47471100

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