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: WFYVYFVKHCDATR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4446625

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C40H77O10P.H3N/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46);1H3/b18-17-;/t37?,38-;/m1./s1
C40H80NO10P766.037660999997121500
9356928

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C40H77O10P.H3N/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46);1H3/b18-17+;
C40H80NO10P766.03776700
9460714

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C40H77O10P.H3N/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46);1H3/b18-17-;
C40H80NO10P766.03773300
52083225

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C40H77O10P.H3N/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46);1H3/b18-17-;/t37-,38-;/m1./s1
C40H80NO10P766.03772300
57542931

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C40H77O10P.H3N/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46);1H3/b18-17+;/t37?,38-;/m1./s1
C40H80NO10P766.03772100
98645163

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C40H77O10P.H3N/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46);1H3/b18-17-;/t37?,38-;/m1./s1/i33D2,34D2,37D;
C40H75D5NO10P771.06852200
34995302

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C40H77O10P.H3N/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46);1H3/b18-17-;/t37-,38-;/m0./s1
C40H80NO10P766.03771100
34995303

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C40H77O10P.H3N/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46);1H3/b18-17-;/t37-,38+;/m1./s1
C40H80NO10P766.03771100

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