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: HPXCSFGRIIAHER (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
108386

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C29H39NO6/c1-4-30-15-17-10-11-21(34-2)29-18(17)12-19(24(29)30)27(32)14-22(35-3)28(33)13-20(29)23(27)25(28)36-26(31)16-8-6-5-7-9-16/h5-9,17-25,32-33H,4,10-15H2,1-3H3
C29H39NO6497.62316300
4475529

6 of 12 defined stereocentres - 6/12 defined
InChI=1/C29H39NO6/c1-4-30-15-17-10-11-21(34-2)29-18(17)12-19(24(29)30)27(32)14-22(35-3)28(33)13-20(29)23(27)25(28)36-26(31)16-8-6-5-7-9-16/h5-9,17-25,32-33H,4,10-15H2,1-3H3/t17?,18-,19?,20-,21?,22+,23-,24?,25?,27+,28+,29?/m1/s1
C29H39NO6497.62312200
31115245

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C29H39NO6/c1-4-30-15-17-10-11-21(34-2)29-18(17)12-19(24(29)30)27(32)14-22(35-3)28(33)13-20(29)23(27)25(28)36-26(31)16-8-6-5-7-9-16/h5-9,17-25,32-33H,4,10-15H2,1-3H3/t17-,18+,19+,20+,21-,22+,23+,24?,25+,27-,28-,29-/m0/s1
C29H39NO6497.62312200
10219152

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C29H39NO6/c1-4-30-15-17-10-11-21(34-2)29-18(17)12-19(24(29)30)27(32)14-22(35-3)28(33)13-20(29)23(27)25(28)36-26(31)16-8-6-5-7-9-16/h5-9,17-25,32-33H,4,10-15H2,1-3H3/t17-,18+,19-,20+,21-,22-,23+,24?,25+,27-,28-,29-/m0/s1
C29H39NO6497.62311115

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