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: LMXMVUQKOHQTKA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4951769

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C32H48O5/c1-21(18-23(3)12-14-29-25(5)13-15-30(34)37-29)10-9-11-22(2)19-26(6)31(35)28(8)32(36)27(7)20-24(4)16-17-33/h9,11-16,18-19,21,25-29,32-33,36H,10,17,20H2,1-8H3/b11-9+,14-12+,22-19+,23-18+,24-16+
C32H48O5512.72056500
59701070

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C32H48O5/c1-21(18-23(3)12-14-29-25(5)13-15-30(34)37-29)10-9-11-22(2)19-26(6)31(35)28(8)32(36)27(7)20-24(4)16-17-33/h9,11-16,18-19,21,25-29,32-33,36H,10,17,20H2,1-8H3/b11-9+,14-12+,22-19+,23-18+,24-16+/t21-,25-,26+,27-,28+,29-,32-/m0/s1
C32H48O5512.72052100
78444906

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C32H48O5/c1-21(18-23(3)12-14-29-25(5)13-15-30(34)37-29)10-9-11-22(2)19-26(6)31(35)28(8)32(36)27(7)20-24(4)16-17-33/h9,11-16,18-19,21,25-29,32-33,36H,10,17,20H2,1-8H3/b11-9-,14-12+,22-19-,23-18-,24-16-
C32H48O5512.72051100

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