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 5 results

Search term: NWAXPABSWYMSQF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
32701260

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H80O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)47-36-39(37-48-42(46)38(3)43)49-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h38-39,43H,4-37H2,1-3H3
C42H80O7697.08042400
34984282

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H80O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)47-36-39(37-48-42(46)38(3)43)49-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h38-39,43H,4-37H2,1-3H3/t38-,39+/m0/s1
C42H80O7697.08041300
34984294

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H80O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)47-36-39(37-48-42(46)38(3)43)49-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h38-39,43H,4-37H2,1-3H3/t38-,39-/m0/s1
C42H80O7697.08041300
34984295

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H80O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)47-36-39(37-48-42(46)38(3)43)49-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h38-39,43H,4-37H2,1-3H3/t38-,39-/m1/s1
C42H80O7697.08041300
34984296

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H80O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)47-36-39(37-48-42(46)38(3)43)49-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h38-39,43H,4-37H2,1-3H3/t38-,39+/m1/s1
C42H80O7697.08041300

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