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 8 results

Search term: WGIWOHWWPXKJMS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4576510

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H18N2O4S/c1-16(2,23)13(14(19)20)17-9-11-15(21)22-12(18-11)8-10-6-4-3-5-7-10/h3-7,9,13,17,23H,8H2,1-2H3,(H,19,20)/b11-9+
C16H18N2O4S334.39015600
8172583

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H18N2O4S/c1-16(2,23)13(14(19)20)17-9-11-15(21)22-12(18-11)8-10-6-4-3-5-7-10/h3-7,9,13,17,23H,8H2,1-2H3,(H,19,20)/b11-9-
C16H18N2O4S334.390131200
26331839

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H18N2O4S/c1-16(2,23)13(14(19)20)17-9-11-15(21)22-12(18-11)8-10-6-4-3-5-7-10/h3-7,9,13,17,23H,8H2,1-2H3,(H,19,20)/t13-/m0/s1
C16H18N2O4S334.39012300
26331976

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H18N2O4S/c1-16(2,23)13(14(19)20)17-9-11-15(21)22-12(18-11)8-10-6-4-3-5-7-10/h3-7,9,13,17,23H,8H2,1-2H3,(H,19,20)/p-1/t13-/m0/s1
C16H17N2O4S333.38271100
65321679

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H18N2O4S/c1-16(2,23)13(14(19)20)17-9-11-15(21)22-12(18-11)8-10-6-4-3-5-7-10/h3-7,9,13,17,23H,8H2,1-2H3,(H,19,20)/b11-9+/t13-/m0/s1
C16H18N2O4S334.39011100
78315992

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H18N2O4S/c1-16(2,23)13(14(19)20)17-9-11-15(21)22-12(18-11)8-10-6-4-3-5-7-10/h3-7,9,13,17,23H,8H2,1-2H3,(H,19,20)/p-1/b11-9+/t13-/m0/s1
C16H17N2O4S333.38271100
107434302

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H18N2O4S/c1-16(2,23)13(14(19)20)17-9-11-15(21)22-12(18-11)8-10-6-4-3-5-7-10/h3-7,9,13,17,23H,8H2,1-2H3,(H,19,20)/b11-9+/i3D,4D,5D,6D,7D
C16H13D5N2O4S339.42091100
111312764

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C16H18N2O4S/c1-16(2,23)13(14(19)20)17-9-11-15(21)22-12(18-11)8-10-6-4-3-5-7-10/h3-7,9,13,17,23H,8H2,1-2H3,(H,19,20)/b11-9+/t13-/m0/s1/i3D,4D,5D,6D,7D
C16H13D5N2O4S339.42091100

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