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 4 results

Search term: AGJMWDANXUULDD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17464210

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C29H45NO4/c1-19-17-25-23-6-5-21-18-22(34-26(32)9-12-30-13-15-33-16-14-30)7-10-28(21,3)24(23)8-11-29(25,4)27(19)20(2)31/h5,19,22-25,27H,6-18H2,1-4H3/t19-,22?,23?,24?,25?,27?,28+,29+/m1/s1
C29H45NO4471.67193100
62297471

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H45NO4/c1-19-17-25-23-6-5-21-18-22(34-26(32)9-12-30-13-15-33-16-14-30)7-10-28(21,3)24(23)8-11-29(25,4)27(19)20(2)31/h5,19,22-25,27H,6-18H2,1-4H3/t19-,22-,23+,24-,25-,27+,28+,29+/m1/s1
C29H45NO4471.67192200
3842679

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C29H45NO4/c1-19-17-25-23-6-5-21-18-22(34-26(32)9-12-30-13-15-33-16-14-30)7-10-28(21,3)24(23)8-11-29(25,4)27(19)20(2)31/h5,19,22-25,27H,6-18H2,1-4H3
C29H45NO4471.67192100
3882203

Charge

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C29H45NO4/c1-19-17-25-23-6-5-21-18-22(34-26(32)9-12-30-13-15-33-16-14-30)7-10-28(21,3)24(23)8-11-29(25,4)27(19)20(2)31/h5,19,22-25,27H,6-18H2,1-4H3/p+1
C29H46NO4472.67931100

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