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 3 results

Search term: XNTIUCIZYPSQBE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2139954

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C23H28BrNO5S/c1-4-29-18-12-14(11-15(24)22(18)27)20-19(23(28)30-9-10-31-5-2)13(3)25-16-7-6-8-17(26)21(16)20/h11-12,20,25,27H,4-10H2,1-3H3
C23H28BrNO5S510.44112281900
62531405

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C23H28BrNO5S/c1-4-29-18-12-14(11-15(24)22(18)27)20-19(23(28)30-9-10-31-5-2)13(3)25-16-7-6-8-17(26)21(16)20/h11-12,20,25,27H,4-10H2,1-3H3/t20-/m0/s1
C23H28BrNO5S510.44112200
62567622

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C23H28BrNO5S/c1-4-29-18-12-14(11-15(24)22(18)27)20-19(23(28)30-9-10-31-5-2)13(3)25-16-7-6-8-17(26)21(16)20/h11-12,20,25,27H,4-10H2,1-3H3/t20-/m1/s1
C23H28BrNO5S510.44112300

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