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: QTKXLHIVFZPNBG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8546827

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C34H40N4O6/c1-8-21-20(6)33(42)38-28(21)15-26-18(4)23(10-12-31(39)40)29(36-26)16-30-24(11-13-32(41)44-7)19(5)25(35-30)14-27-17(3)22(9-2)34(43)37-27/h8-9,15-16,20,27,35-36H,2,10-14H2,1,3-7H3,(H,37,43)(H,39,40)/b21-8+,26-15+,29-16+/t20?,27-/m1/s1
C34H40N4O6600.70462100
57482710

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C34H40N4O6/c1-8-21-20(6)33(42)38-28(21)15-26-18(4)23(10-12-31(39)40)29(36-26)16-30-24(11-13-32(41)44-7)19(5)25(35-30)14-27-17(3)22(9-2)34(43)37-27/h8-9,15-16,20,27,35-36H,2,10-14H2,1,3-7H3,(H,37,43)(H,39,40)/b21-8-,26-15+,29-16+
C34H40N4O6600.70461100
57563590

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C34H40N4O6/c1-8-21-20(6)33(42)38-28(21)15-26-18(4)23(10-12-31(39)40)29(36-26)16-30-24(11-13-32(41)44-7)19(5)25(35-30)14-27-17(3)22(9-2)34(43)37-27/h8-9,15-16,20,27,35-36H,2,10-14H2,1,3-7H3,(H,37,43)(H,39,40)/b21-8+,26-15+,29-16-
C34H40N4O6600.70461100
95646797

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C34H40N4O6/c1-8-21-20(6)33(42)38-28(21)15-26-18(4)23(10-12-31(39)40)29(36-26)16-30-24(11-13-32(41)44-7)19(5)25(35-30)14-27-17(3)22(9-2)34(43)37-27/h8-9,15-16,20,27,35-36H,2,10-14H2,1,3-7H3,(H,37,43)(H,39,40)/b21-8-,26-15+,29-16-
C34H40N4O6600.70461100

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