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 7 results

Search term: FCVNCXQMMCVJBR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2029643

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C29H36O2/c1-20(30)31-23-14-18-29(3)22(19-23)9-10-24-25-15-17-28(2,26(25)11-12-27(24)29)16-13-21-7-5-4-6-8-21/h4-8,22-24,27H,9-12,14-15,17-19H2,1-3H3/t22?,23?,24?,27?,28-,29?/m1/s1
C29H36O2416.594945400
3492575

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C29H36O2/c1-20(30)31-23-14-18-29(3)22(19-23)9-10-24-25-15-17-28(2,26(25)11-12-27(24)29)16-13-21-7-5-4-6-8-21/h4-8,22-24,27H,9-12,14-15,17-19H2,1-3H3
C29H36O2416.594943200
10042400

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H36O2/c1-20(30)31-23-14-18-29(3)22(19-23)9-10-24-25-15-17-28(2,26(25)11-12-27(24)29)16-13-21-7-5-4-6-8-21/h4-8,22-24,27H,9-12,14-15,17-19H2,1-3H3/t22-,23-,24+,27+,28-,29-/m1/s1
C29H36O2416.59492100
10042401

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H36O2/c1-20(30)31-23-14-18-29(3)22(19-23)9-10-24-25-15-17-28(2,26(25)11-12-27(24)29)16-13-21-7-5-4-6-8-21/h4-8,22-24,27H,9-12,14-15,17-19H2,1-3H3/t22-,23+,24+,27+,28-,29-/m1/s1
C29H36O2416.59492100
10042402

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H36O2/c1-20(30)31-23-14-18-29(3)22(19-23)9-10-24-25-15-17-28(2,26(25)11-12-27(24)29)16-13-21-7-5-4-6-8-21/h4-8,22-24,27H,9-12,14-15,17-19H2,1-3H3/t22-,23-,24+,27+,28-,29+/m1/s1
C29H36O2416.59492100
10042403

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H36O2/c1-20(30)31-23-14-18-29(3)22(19-23)9-10-24-25-15-17-28(2,26(25)11-12-27(24)29)16-13-21-7-5-4-6-8-21/h4-8,22-24,27H,9-12,14-15,17-19H2,1-3H3/t22-,23+,24+,27+,28-,29+/m1/s1
C29H36O2416.59492100
62530709

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H36O2/c1-20(30)31-23-14-18-29(3)22(19-23)9-10-24-25-15-17-28(2,26(25)11-12-27(24)29)16-13-21-7-5-4-6-8-21/h4-8,22-24,27H,9-12,14-15,17-19H2,1-3H3/t22-,23+,24-,27-,28+,29+/m0/s1
C29H36O2416.59492200

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