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 6 results

Search term: RMCUZOFMWLMCCE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4943358

Double-bond stereo

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C35H50O8/c1-8-22(4)30-24(6)29(36)18-34(43-30)17-27-16-26(42-34)13-12-21(3)14-20(2)10-9-11-25-19-40-32-31(39-7)23(5)15-28(33(37)41-27)35(25,32)38/h8-12,15,20,24,26-32,36,38H,13-14,16-19H2,1-7H3/b10-9+,21-12+,22-8+,25-11+/t20-,24-,26+,27-,28?,29-,30+,31+,32+,34?,35+/m0/s1
C35H50O8598.76673200
9932964

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C35H50O8/c1-8-22(4)30-24(6)29(36)18-34(43-30)17-27-16-26(42-34)13-12-21(3)14-20(2)10-9-11-25-19-40-32-31(39-7)23(5)15-28(33(37)41-27)35(25,32)38/h8-12,15,20,24,26-32,36,38H,13-14,16-19H2,1-7H3/b10-9+,21-12+,22-8+,25-11+/t20-,24-,26+,27-,28-,29-,30+,31+,32+,34-,35+/m0/s1
C35H50O8598.76673200
57483000

Double-bond stereo

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C35H50O8/c1-8-22(4)30-24(6)29(36)18-34(43-30)17-27-16-26(42-34)13-12-21(3)14-20(2)10-9-11-25-19-40-32-31(39-7)23(5)15-28(33(37)41-27)35(25,32)38/h8-12,15,20,24,26-32,36,38H,13-14,16-19H2,1-7H3/b10-9-,21-12-,22-8+,25-11-/t20-,24-,26+,27-,28?,29-,30+,31+,32+,34?,35+/m0/s1
C35H50O8598.76671100
79715756

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C35H50O8/c1-8-22(4)30-24(6)29(36)18-34(43-30)17-27-16-26(42-34)13-12-21(3)14-20(2)10-9-11-25-19-40-32-31(39-7)23(5)15-28(33(37)41-27)35(25,32)38/h8-12,15,20,24,26-32,36,38H,13-14,16-19H2,1-7H3/b10-9-,21-12-,22-8+,25-11-/t20-,24-,26+,27-,28?,29-,30+,31+,32+,34-,35-/m0/s1
C35H50O8598.76671100
111307048

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C35H50O8/c1-8-22(4)30-24(6)29(36)18-34(43-30)17-27-16-26(42-34)13-12-21(3)14-20(2)10-9-11-25-19-40-32-31(39-7)23(5)15-28(33(37)41-27)35(25,32)38/h8-12,15,20,24,26-32,36,38H,13-14,16-19H2,1-7H3/b10-9-,21-12-,22-8+,25-11-/t20-,24-,26+,27-,28-,29-,30+,31+,32+,34-,35+/m1/s1
C35H50O8598.76671100

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