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: CADGDESSNWSRRZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9138027

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C32H45N3O4S/c1-32(2,3)34-30(37)28-18-24-14-10-11-15-25(24)19-35(28)20-29(36)27(22-40-26-16-8-5-9-17-26)33-31(38)39-21-23-12-6-4-7-13-23/h4-9,12-13,16-17,24-25,27-29,36H,10-11,14-15,18-22H2,1-3H3,(H,33,38)(H,34,37)/t24-,25+,27-,28-,29+/m0/s1
C32H45N3O4S567.7824261700
9694569

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C32H45N3O4S/c1-32(2,3)34-30(37)28-18-24-14-10-11-15-25(24)19-35(28)20-29(36)27(22-40-26-16-8-5-9-17-26)33-31(38)39-21-23-12-6-4-7-13-23/h4-9,12-13,16-17,24-25,27-29,36H,10-11,14-15,18-22H2,1-3H3,(H,33,38)(H,34,37)/t24?,25?,27-,28-,29+/m0/s1
C32H45N3O4S567.78243200
19026242

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C32H45N3O4S/c1-32(2,3)34-30(37)28-18-24-14-10-11-15-25(24)19-35(28)20-29(36)27(22-40-26-16-8-5-9-17-26)33-31(38)39-21-23-12-6-4-7-13-23/h4-9,12-13,16-17,24-25,27-29,36H,10-11,14-15,18-22H2,1-3H3,(H,33,38)(H,34,37)
C32H45N3O4S567.78243100
68026182

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C32H45N3O4S/c1-32(2,3)34-30(37)28-18-24-14-10-11-15-25(24)19-35(28)20-29(36)27(22-40-26-16-8-5-9-17-26)33-31(38)39-21-23-12-6-4-7-13-23/h4-9,12-13,16-17,24-25,27-29,36H,10-11,14-15,18-22H2,1-3H3,(H,33,38)(H,34,37)/t24-,25+,27+,28?,29+/m1/s1
C32H45N3O4S567.78241100
114815113

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C32H45N3O4S/c1-32(2,3)34-30(37)28-18-24-14-10-11-15-25(24)19-35(28)20-29(36)27(22-40-26-16-8-5-9-17-26)33-31(38)39-21-23-12-6-4-7-13-23/h4-9,12-13,16-17,24-25,27-29,36H,10-11,14-15,18-22H2,1-3H3,(H,33,38)(H,34,37)/t24-,25-,27+,28+,29-/m1/s1
C32H45N3O4S567.78241100

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