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 6 results

Search term: CGHKPCWBDXTENE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21264045

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H17N3O4S/c1-10(3-4-11-5-7-12(23-2)8-6-11)18-19-16-17-15(22)13(24-16)9-14(20)21/h3-8,13H,9H2,1-2H3,(H,20,21)(H,17,19,22)/b4-3+,18-10-
C16H17N3O4S347.388912800
3514370

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H17N3O4S/c1-10(3-4-11-5-7-12(23-2)8-6-11)18-19-16-17-15(22)13(24-16)9-14(20)21/h3-8,13H,9H2,1-2H3,(H,20,21)(H,17,19,22)
C16H17N3O4S347.388883200
5649672

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H17N3O4S/c1-10(3-4-11-5-7-12(23-2)8-6-11)18-19-16-17-15(22)13(24-16)9-14(20)21/h3-8,13H,9H2,1-2H3,(H,20,21)(H,17,19,22)/b4-3+,18-10+/t13-/m0/s1
C16H17N3O4S347.38892100
5649674

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H17N3O4S/c1-10(3-4-11-5-7-12(23-2)8-6-11)18-19-16-17-15(22)13(24-16)9-14(20)21/h3-8,13H,9H2,1-2H3,(H,20,21)(H,17,19,22)/b4-3+,18-10+/t13-/m1/s1
C16H17N3O4S347.38892100
5649673

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H17N3O4S/c1-10(3-4-11-5-7-12(23-2)8-6-11)18-19-16-17-15(22)13(24-16)9-14(20)21/h3-8,13H,9H2,1-2H3,(H,20,21)(H,17,19,22)/p-1/b4-3+,18-10+/t13-/m1/s1
C16H16N3O4S346.38151100
5649671

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H17N3O4S/c1-10(3-4-11-5-7-12(23-2)8-6-11)18-19-16-17-15(22)13(24-16)9-14(20)21/h3-8,13H,9H2,1-2H3,(H,20,21)(H,17,19,22)/p-1/b4-3+,18-10+/t13-/m0/s1
C16H16N3O4S346.38151100

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