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: BTHYVQUNQHWNLS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2007111

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H20N2/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3/t15-,16-/m1/s1
C16H20N2240.3434635000
5382346

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H20N2/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3/t15-,16-/m0/s1
C16H20N2240.3434453800
13732025

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H20N2/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3
C16H20N2240.3434172400
9981424

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H20N2/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3/t15-,16+
C16H20N2240.34345400
5382344

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H20N2/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3/p+2/t15-,16-/m1/s1
C16H22N2242.35821100
5382345

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H20N2/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3/p+2/t15-,16-/m0/s1
C16H22N2242.35821100
128940581

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H20N2/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3/t15-,16?/m1/s1
C16H20N2240.34341100
128940582

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H20N2/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3/t15-,16?/m0/s1
C16H20N2240.34341100

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