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 12 results

Search term: XHKPOVXZQQQNEJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5970292

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H18N2O6S2/c1-24-11-4-2-3-10(7-11)18-12-8-26(22,23)9-13(12)25-16(18)17-14(19)5-6-15(20)21/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,20,21)/b17-16-/t12-,13+/m0/s1
C16H18N2O6S2398.453913600
4074511

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H18N2O6S2/c1-24-11-4-2-3-10(7-11)18-12-8-26(22,23)9-13(12)25-16(18)17-14(19)5-6-15(20)21/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,20,21)/b17-16-
C16H18N2O6S2398.4539210800
21479376

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H18N2O6S2/c1-24-11-4-2-3-10(7-11)18-12-8-26(22,23)9-13(12)25-16(18)17-14(19)5-6-15(20)21/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,20,21)/b17-16+
C16H18N2O6S2398.45395400
5970315

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H18N2O6S2/c1-24-11-4-2-3-10(7-11)18-12-8-26(22,23)9-13(12)25-16(18)17-14(19)5-6-15(20)21/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,20,21)/b17-16-/t12-,13-/m0/s1
C16H18N2O6S2398.45392100
5970277

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H18N2O6S2/c1-24-11-4-2-3-10(7-11)18-12-8-26(22,23)9-13(12)25-16(18)17-14(19)5-6-15(20)21/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,20,21)/b17-16-/t12-,13-/m1/s1
C16H18N2O6S2398.45392100
5970305

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H18N2O6S2/c1-24-11-4-2-3-10(7-11)18-12-8-26(22,23)9-13(12)25-16(18)17-14(19)5-6-15(20)21/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,20,21)/b17-16-/t12-,13+/m1/s1
C16H18N2O6S2398.45392100
5970314

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H18N2O6S2/c1-24-11-4-2-3-10(7-11)18-12-8-26(22,23)9-13(12)25-16(18)17-14(19)5-6-15(20)21/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,20,21)/p-1/b17-16-/t12-,13-/m0/s1
C16H17N2O6S2397.44651100
5970304

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H18N2O6S2/c1-24-11-4-2-3-10(7-11)18-12-8-26(22,23)9-13(12)25-16(18)17-14(19)5-6-15(20)21/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,20,21)/p-1/b17-16-/t12-,13+/m1/s1
C16H17N2O6S2397.44651100
5970291

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H18N2O6S2/c1-24-11-4-2-3-10(7-11)18-12-8-26(22,23)9-13(12)25-16(18)17-14(19)5-6-15(20)21/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,20,21)/p-1/b17-16-/t12-,13+/m0/s1
C16H17N2O6S2397.44651100
5970276

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H18N2O6S2/c1-24-11-4-2-3-10(7-11)18-12-8-26(22,23)9-13(12)25-16(18)17-14(19)5-6-15(20)21/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,20,21)/p-1/b17-16-/t12-,13-/m1/s1
C16H17N2O6S2397.44651100
35318396

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H18N2O6S2/c1-24-11-4-2-3-10(7-11)18-12-8-26(22,23)9-13(12)25-16(18)17-14(19)5-6-15(20)21/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,20,21)/t12-,13+/m0/s1
C16H18N2O6S2398.45391100
35393595

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H18N2O6S2/c1-24-11-4-2-3-10(7-11)18-12-8-26(22,23)9-13(12)25-16(18)17-14(19)5-6-15(20)21/h2-4,7,12-13H,5-6,8-9H2,1H3,(H,20,21)
C16H18N2O6S2398.45391100

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