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 9 results

Search term: YJBYRYVLFAUXBJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
147575

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H20O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22)/t14-,16+,18+/m1/s1
C18H20O5S348.4134111100
26039

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C18H20O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22)
C18H20O5S348.41344200
19990640

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H20O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22)/p-1/t14-,16+,18+/m1/s1
C18H19O5S347.4062200
4331952

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C18H20O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22)/p-1
C18H19O5S347.4054621400
9900032

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H20O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22)/t14?,16-,18-/m0/s1
C18H20O5S348.41342100
17341278

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C18H20O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22)/t14-,16+,18?/m1/s1/i3D,7D2,10D
C18H16D4O5S352.4381100
8331510

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C18H20O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22)/t14?,16?,18-/m0/s1
C18H20O5S348.41341100
114553579

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C18H20O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22)/t14-,16+,18+/m0/s1/i3D,7D2,10D
C18H16D4O5S352.4381100

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