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: MBQOCAYHVGZDCH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8991932

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C33H48O7/c1-20(24(39-9)13-16-30(4,5)38)11-10-12-21(2)28-23(35)19-26-31(6)18-15-27(40-22(3)34)33(8,29(36)37)25(31)14-17-32(26,28)7/h10-13,16,24-27,38H,14-15,17-19H2,1-9H3,(H,36,37)/b12-10+,16-13+,20-11+,28-21+/t24?,25-,26+,27-,31+,32+,33-/m1/s1
C33H48O7556.736600
10243707

Charge

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C33H48O7/c1-20(24(39-9)13-16-30(4,5)38)11-10-12-21(2)28-23(35)19-26-31(6)18-15-27(40-22(3)34)33(8,29(36)37)25(31)14-17-32(26,28)7/h10-13,16,24-27,38H,14-15,17-19H2,1-9H3,(H,36,37)/p-1/b12-10+,16-13+,20-11+,28-21+/t24?,25-,26+,27-,31+,32+,33-/m1/s1
C33H47O7555.72261100
8546414

Double-bond stereo

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C33H48O7/c1-20(24(39-9)13-16-30(4,5)38)11-10-12-21(2)28-23(35)19-26-31(6)18-15-27(40-22(3)34)33(8,29(36)37)25(31)14-17-32(26,28)7/h10-13,16,24-27,38H,14-15,17-19H2,1-9H3,(H,36,37)/b12-10+,16-13+,20-11-,28-21+/t24?,25-,26+,27?,31+,32+,33?/m1/s1
C33H48O7556.731100

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