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 7 results

Search term: KIUMLVBHJJIUCE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4943294

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined

Non-standard isotope
InChI=1/C20H27IO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h10-12,15-18,23H,2-9H2,1H3/b11-10+/t15-,16?,17+,18-,19-,20+/m0/s1/i21-2
C20H27125IO2424.33182200
8427341

Double-bond stereo

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C20H27IO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h10-12,15-18,23H,2-9H2,1H3/b11-10+/t15?,16?,17?,18?,19?,20-/m1/s1
C20H27IO2426.33172100
9179594

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C20H27IO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h10-12,15-18,23H,2-9H2,1H3/b11-10+/t15-,16+,17+,18-,19-,20+/m0/s1/i21-2
C20H27125IO2424.33182200
14606015

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C20H27IO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h10-12,15-18,23H,2-9H2,1H3/b11-10+
C20H27IO2426.33161100
21200606

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C20H27IO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h10-12,15-18,23H,2-9H2,1H3/b11-10+/t15-,16-,17+,18+,19-,20+/m1/s1
C20H27IO2426.33171200
23141510

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C20H27IO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h10-12,15-18,23H,2-9H2,1H3/b11-10-
C20H27IO2426.33161100
23620770

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H27IO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h10-12,15-18,23H,2-9H2,1H3/b11-10-/t15-,16+,17+,18-,19-,20+/m0/s1
C20H27IO2426.33161100

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