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 16 results

Search term: BYHDFCISJXIVBV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
82723

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1
C16H18N3NaO5S387.386545200
28290687

Charge

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9?,10-,11+,14-;/m1./s1
C16H18N3NaO5S387.386211200
10700893

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1
C16H18N3NaO5S387.386125143
24534014

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9-,10-,11+,14-;/m0./s1
C16H18N3NaO5S387.3866400
78430351

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9-,10+,11+,14+;/m1./s1
C16H18N3NaO5S387.3865400
78430236

Charge

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9?,10-,11-,14+;/m0./s1
C16H18N3NaO5S387.3862200
8040715

Charge

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9?,10-,11+,14-;/m0./s1
C16H18N3NaO5S387.3862200
58780721

Charge

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9-,10+,11-,14+;/m0./s1/i3D,4D,5D,6D;
C16H14D4N3NaO5S391.41061100
58781422

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9-,10+,11-,14+;/m0./s1
C16H18N3NaO5S387.3861100
78430039

Charge

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9?,10?,11?,14-;/m1./s1
C16H18N3NaO5S387.3861100
78432771

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9-,10-,11+,14+;/m1./s1
C16H18N3NaO5S387.3861100
110806382

Charge

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9-,10-,11+,14?;/m1./s1
C16H18N3NaO5S387.3861100
114395141

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9-,10+,11-,14-;/m1./s1
C16H18N3NaO5S387.3861100
114566070

Charge

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9-,10+,11-,14+;/m1./s1/i3D,4D,5D,6D;
C16H14D4N3NaO5S391.41061100

Advertisement