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: GPWHVVCHKQBJTJ-VEGBIEQQCG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2107867

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H13Cl3N4O5S/c18-17(19,20)15(22-13(25)9-3-2-6-12(8-9)24(28)29)23-16(30)21-11-5-1-4-10(7-11)14(26)27/h1-8,15H,(H,22,25)(H,26,27)(H2,21,23,30)
C17H13Cl3N4O5S491.73292281900
1685692

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H13Cl3N4O5S/c18-17(19,20)15(22-13(25)9-3-2-6-12(8-9)24(28)29)23-16(30)21-11-5-1-4-10(7-11)14(26)27/h1-8,15H,(H,22,25)(H,26,27)(H2,21,23,30)/t15-/m1/s1
C17H13Cl3N4O5S491.73292100
1685694

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H13Cl3N4O5S/c18-17(19,20)15(22-13(25)9-3-2-6-12(8-9)24(28)29)23-16(30)21-11-5-1-4-10(7-11)14(26)27/h1-8,15H,(H,22,25)(H,26,27)(H2,21,23,30)/t15-/m0/s1
C17H13Cl3N4O5S491.73292100
1685691

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H13Cl3N4O5S/c18-17(19,20)15(22-13(25)9-3-2-6-12(8-9)24(28)29)23-16(30)21-11-5-1-4-10(7-11)14(26)27/h1-8,15H,(H,22,25)(H,26,27)(H2,21,23,30)/p-1/t15-/m0/s1
C17H12Cl3N4O5S490.72551100
1685693

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H13Cl3N4O5S/c18-17(19,20)15(22-13(25)9-3-2-6-12(8-9)24(28)29)23-16(30)21-11-5-1-4-10(7-11)14(26)27/h1-8,15H,(H,22,25)(H,26,27)(H2,21,23,30)/p-1/t15-/m1/s1
C17H12Cl3N4O5S490.72551100

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