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: CICOZWHZVMOPJS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
86220

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)
C11H13NO3S239.2908626200
2005928

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
C11H13NO3S239.29084211410
23937011

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/i2D,3D,4D,5D,6D
C11H8D5NO3S244.32165600
48063026

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1/i2D,3D,4D,5D,6D
C11H8D5NO3S244.32165900
65321708

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1
C11H13NO3S239.29085700
77498373

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1/i2D,3D,4D,5D,6D
C11H8D5NO3S244.32164500
77498379

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1/i2+1,3+1,4+1,5+1,6+1,9+1
C513C6H13NO3S245.24673500
24533380

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/i7D2
C11H11D2NO3S241.30313200
5360717

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/p-1/t10-/m0/s1
C11H12NO3S238.28343300

Advertisement