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 6 results

Search term: XIHUXEHAQPSMTF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24022670

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H30O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-9,11,13,15-16,20H,6-7,10,12H2,1-5H3/b11-9+,14-8+/t13-,15+,16-,18+/m0/s1
C18H30O4310.42847500
4947575

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H30O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-9,11,13,15-16,20H,6-7,10,12H2,1-5H3/b11-9-,14-8-/t13-,15+,16-,18+/m0/s1
C18H30O4310.42845400
8790542

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H30O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-9,11,13,15-16,20H,6-7,10,12H2,1-5H3/b11-9+,14-8+/t13-,15+,16-,18+/m0/s1/i8+1,11+1,15+1,17+1
C1413C4H30O4314.3992100
8956795

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H30O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-9,11,13,15-16,20H,6-7,10,12H2,1-5H3/b11-9+,14-8+/t13-,15+,16-,18+/m0/s1/i7+1,12+1,16+1
C1513C3H30O4313.40642100
57436131

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H30O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-9,11,13,15-16,20H,6-7,10,12H2,1-5H3/b11-9+,14-8-/t13-,15+,16-,18+/m0/s1
C18H30O4310.42842100
65322403

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H30O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-9,11,13,15-16,20H,6-7,10,12H2,1-5H3/b11-9?,14-8+/t13-,15+,16-,18+/m0/s1
C18H30O4310.42841100

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