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 3 results

Search term: QCLMGHOOPBXDPV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17470087

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H28O12/c1-15(30)35-14-24-26(36-16(2)31)27(37-17(3)32)28(38-18(4)33)29(41-24)39-20-10-11-21-22(19-8-6-5-7-9-19)13-25(34)40-23(21)12-20/h5-13,24,26-29H,14H2,1-4H3/t24-,26-,27+,28-,29-/m1/s1
C29H28O12568.525417800
17461066

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C29H28O12/c1-15(30)35-14-24-26(36-16(2)31)27(37-17(3)32)28(38-18(4)33)29(41-24)39-20-10-11-21-22(19-8-6-5-7-9-19)13-25(34)40-23(21)12-20/h5-13,24,26-29H,14H2,1-4H3/t24-,26-,27+,28-,29?/m1/s1
C29H28O12568.5254141000
2860134

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C29H28O12/c1-15(30)35-14-24-26(36-16(2)31)27(37-17(3)32)28(38-18(4)33)29(41-24)39-20-10-11-21-22(19-8-6-5-7-9-19)13-25(34)40-23(21)12-20/h5-13,24,26-29H,14H2,1-4H3
C29H28O12568.5254199999996300

Advertisement