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 7 results

Search term: LFRMIUNYOKFGNU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4579277

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H44O5/c1-16(2)20-9-7-18(5)13-25(20)33-27(30)15-22-23-11-12-24(32-23)28(22)29(31)34-26-14-19(6)8-10-21(26)17(3)4/h11-12,15-21,23-26,28H,7-10,13-14H2,1-6H3/b22-15-/t18-,19-,20+,21+,23+,24-,25-,26-,28?/m1/s1
C29H44O5472.65674400
4579278

Double-bond stereo

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C29H44O5/c1-16(2)20-9-7-18(5)13-25(20)33-27(30)15-22-23-11-12-24(32-23)28(22)29(31)34-26-14-19(6)8-10-21(26)17(3)4/h11-12,15-21,23-26,28H,7-10,13-14H2,1-6H3/b22-15-/t18-,19-,20+,21+,23?,24?,25-,26-,28?/m1/s1
C29H44O5472.65673300
4979172

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C29H44O5/c1-16(2)20-9-7-18(5)13-25(20)33-27(30)15-22-23-11-12-24(32-23)28(22)29(31)34-26-14-19(6)8-10-21(26)17(3)4/h11-12,15-21,23-26,28H,7-10,13-14H2,1-6H3/b22-15-
C29H44O5472.65673300
4827112

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C29H44O5/c1-16(2)20-9-7-18(5)13-25(20)33-27(30)15-22-23-11-12-24(32-23)28(22)29(31)34-26-14-19(6)8-10-21(26)17(3)4/h11-12,15-21,23-26,28H,7-10,13-14H2,1-6H3/b22-15+
C29H44O5472.65672200
340066

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H44O5/c1-16(2)20-9-7-18(5)13-25(20)33-27(30)15-22-23-11-12-24(32-23)28(22)29(31)34-26-14-19(6)8-10-21(26)17(3)4/h11-12,15-21,23-26,28H,7-10,13-14H2,1-6H3/t18-,19-,20+,21+,23+,24-,25-,26-,28?/m1/s1
C29H44O5472.65672100
340067

Double-bond stereo

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C29H44O5/c1-16(2)20-9-7-18(5)13-25(20)33-27(30)15-22-23-11-12-24(32-23)28(22)29(31)34-26-14-19(6)8-10-21(26)17(3)4/h11-12,15-21,23-26,28H,7-10,13-14H2,1-6H3/t18-,19-,20+,21+,23?,24?,25-,26-,28?/m1/s1
C29H44O5472.65672100
437619

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C29H44O5/c1-16(2)20-9-7-18(5)13-25(20)33-27(30)15-22-23-11-12-24(32-23)28(22)29(31)34-26-14-19(6)8-10-21(26)17(3)4/h11-12,15-21,23-26,28H,7-10,13-14H2,1-6H3
C29H44O5472.65672100

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