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 6 results

Search term: ARPVNNMMMDXBBF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
170471

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H16ClN3O4S/c1-9-6-11-7-12(21)3-5-14(11)20(9)19-16(22)10-2-4-13(17)15(8-10)25(18,23)24/h2-5,7-9,21H,6H2,1H3,(H,19,22)(H2,18,23,24)
C16H16ClN3O4S381.8339271500
77499047

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H16ClN3O4S/c1-9-6-11-7-12(21)3-5-14(11)20(9)19-16(22)10-2-4-13(17)15(8-10)25(18,23)24/h2-5,7-9,21H,6H2,1H3,(H,19,22)(H2,18,23,24)/t9-/m0/s1
C16H16ClN3O4S381.83394600
107433486

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H16ClN3O4S/c1-9-6-11-7-12(21)3-5-14(11)20(9)19-16(22)10-2-4-13(17)15(8-10)25(18,23)24/h2-5,7-9,21H,6H2,1H3,(H,19,22)(H2,18,23,24)/i1+1D3
C1513CH13D3ClN3O4S385.84512200
107439104

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H16ClN3O4S/c1-9-6-11-7-12(21)3-5-14(11)20(9)19-16(22)10-2-4-13(17)15(8-10)25(18,23)24/h2-5,7-9,21H,6H2,1H3,(H,19,22)(H2,18,23,24)/i1D3,6D,9D
C16H11D5ClN3O4S386.86471100
110404684

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H16ClN3O4S/c1-9-6-11-7-12(21)3-5-14(11)20(9)19-16(22)10-2-4-13(17)15(8-10)25(18,23)24/h2-5,7-9,21H,6H2,1H3,(H,19,22)(H2,18,23,24)/i2D,4D,8D
C16H13D3ClN3O4S384.85241100
110404685

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H16ClN3O4S/c1-9-6-11-7-12(21)3-5-14(11)20(9)19-16(22)10-2-4-13(17)15(8-10)25(18,23)24/h2-5,7-9,21H,6H2,1H3,(H,19,22)(H2,18,23,24)/i2D,4D,6D,8D,9D
C16H11D5ClN3O4S386.86471100

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