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 5 results

Search term: VDKVYEUEJCNDHM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
102777

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H12N2O3S/c1-6(11)10-7(8(12)13)5-14-4-2-3-9/h7H,2,4-5H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
C8H12N2O3S216.2575343900
19978529

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C8H12N2O3S/c1-6(11)10-7(8(12)13)5-14-4-2-3-9/h7H,2,4-5H2,1H3,(H,10,11)(H,12,13)
C8H12N2O3S216.2575141260
48059774

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H12N2O3S/c1-6(11)10-7(8(12)13)5-14-4-2-3-9/h7H,2,4-5H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1/i1D3
C8H9D3N2O3S219.2765400
76920141

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H12N2O3S/c1-6(11)10-7(8(12)13)5-14-4-2-3-9/h7H,2,4-5H2,1H3,(H,10,11)(H,12,13)/t7-/m1/s1
C8H12N2O3S216.25751100
5849197

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H12N2O3S/c1-6(11)10-7(8(12)13)5-14-4-2-3-9/h7H,2,4-5H2,1H3,(H,10,11)(H,12,13)/p-1/t7-/m0/s1
C8H11N2O3S215.25011100

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