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 14 results

Search term: WKRLQDKEXYKHJB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
193995


3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1
C18H20O2268.35027410217
3134

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3
C18H20O2268.35022112900
32819996

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1/i3D,7D2,10D
C18H16D4O2272.3748141600
8282610

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14?,16?,18-/m0/s1
C18H20O2268.35029600
21239993

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18-/m0/s1
C18H20O2268.35026600
17341276

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18?/m1/s1/i3D,7D2,10D
C18H16D4O2272.37484300
5036546

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16-,18-/m0/s1
C18H20O2268.35023300
21236472

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16-,18+/m1/s1
C18H20O2268.35022100
64872744

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m0/s1
C18H20O2268.35022200
24532524

0 of 3 defined stereocentres - 0/3 defined

Non-standard isotope
InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/i3D,7D2,10D
C18H16D4O2272.37482100
78075944

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m0/s1/i3D,7D2,10D
C18H16D4O2272.37481100
78076508

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14?,16?,18-/m1/s1
C18H20O2268.35021100
128925595

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18-/m0/s1/i3D,7D2,10D
C18H16D4O2272.37481100

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