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 9 results

Search term: BVCTWRNVKLXEQC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
94377

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H17NO3/c17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13/h1-9,15,18H,10-11,17H2/t15-/m0/s1
C16H17NO3271.3111584500
272199

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H17NO3/c17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13/h1-9,15,18H,10-11,17H2
C16H17NO3271.3111272800
5677141

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H17NO3/c17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13/h1-9,15,18H,10-11,17H2/t15-/m1/s1
C16H17NO3271.31114300
5677144

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H17NO3/c17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13/h1-9,15,18H,10-11,17H2/p+1/t15-/m0/s1
C16H18NO3272.31852200
8146109

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C16H17NO3/c17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13/h1-9,15,18H,10-11,17H2/t15-/m0/s1/i8D,9D
C16H15D2NO3273.32342100
8191813

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C16H17NO3/c17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13/h1-9,15,18H,10-11,17H2/t15-/m0/s1/i6D,7D,8D,9D
C16H13D4NO3275.33572100
8260215

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C16H17NO3/c17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13/h1-9,15,18H,10-11,17H2/t15-/m0/s1/i6D,7D
C16H15D2NO3273.32342200
3267811

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H17NO3/c17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13/h1-9,15,18H,10-11,17H2/p+1
C16H18NO3272.31851100
5677140

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H17NO3/c17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13/h1-9,15,18H,10-11,17H2/p+1/t15-/m1/s1
C16H18NO3272.31851100

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