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 2 results

Search term: KWLVFEFHZOXGTI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10160119

Charge

Double-bond stereo
InChI=1/C34H34N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14H,5-10H2,1-4H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;
C34H32FeN4O4S2680.61731100
61709460

Charge

Double-bond stereo
InChI=1/C34H34N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14H,5-10H2,1-4H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;/rC34H32FeN4O4S2/c1-15-21(7-9-31(40)41)25-13-29-22(8-10-32(42)43)16(2)27-11-24-17(3)33(19(5)44)26(37-24)14-28-18(4)34(20(6)45)30(12-23(15)36-25)39(28)35-38(27)29/h11-14,44-45H,5-10H2,1-4H3,(H,40,41)(H,42,43)/b23-12-,24-11-,25-13-,26-14-,27-11-,28-14-,29-13-,30-12-
C34H32FeN4O4S2680.617313300

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