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
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Found 3 results

Search term: LOMMMCIEBYSLCY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8826546

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C35H50O8/c1-19(2)33-24(7)27(36)18-29(42-33)25(8)32(38)26(9)34-28(40-10)14-12-13-20(3)15-22(5)31(37)23(6)16-21(4)17-30(41-11)35(39)43-34/h12-14,16-19,22-26,28,33-34H,15H2,1-11H3/b14-12+,20-13+,21-16+,30-17-/t22-,23+,24-,25+,26-,28-,33+,34+/m0/s1
C35H50O8598.76672100
23149585

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C35H50O8/c1-19(2)33-24(7)27(36)18-29(42-33)25(8)32(38)26(9)34-28(40-10)14-12-13-20(3)15-22(5)31(37)23(6)16-21(4)17-30(41-11)35(39)43-34/h12-14,16-19,22-26,28,33-34H,15H2,1-11H3/b14-12+,20-13+,21-16+,30-17-/t22-,23?,24-,25+,26-,28?,33+,34+/m0/s1
C35H50O8598.76672200
58119726

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C35H50O8/c1-19(2)33-24(7)27(36)18-29(42-33)25(8)32(38)26(9)34-28(40-10)14-12-13-20(3)15-22(5)31(37)23(6)16-21(4)17-30(41-11)35(39)43-34/h12-14,16-19,22-26,28,33-34H,15H2,1-11H3/b14-12+,20-13-,21-16+,30-17-/t22-,23?,24-,25+,26-,28?,33+,34+/m0/s1
C35H50O8598.76671100

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