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
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Found 8 results

Search term: HERPVHLYIHBEFW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
66590

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H17NO4/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h7H,3-6,10H2,1-2H3/t7-/m0/s1
C9H17NO4203.2356451342523
361320

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H17NO4/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h7H,3-6,10H2,1-2H3
C9H17NO4203.235625281262
5369481

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H17NO4/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h7H,3-6,10H2,1-2H3/t7-/m1/s1
C9H17NO4203.23566500
8528317

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H17NO4/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h7H,3-6,10H2,1-2H3/i6D
C9H16DNO4204.24172100
8640921

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H17NO4/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h7H,3-6,10H2,1-2H3/i5D
C9H16DNO4204.24172100
8926031

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H17NO4/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h7H,3-6,10H2,1-2H3/t7-/m0/s1/i7+1
C813CH17NO4204.22822100
5362166

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H17NO4/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h7H,3-6,10H2,1-2H3/p+1/t7-/m0/s1
C9H18NO4204.2431100
5369480

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H17NO4/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h7H,3-6,10H2,1-2H3/p+1/t7-/m1/s1
C9H18NO4204.2431100

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