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: APSBXTVYXVQYAB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10861

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1
C20H37NaO7S444.55835532085840
11659717

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1
C20H38NaO7S445.5657415259170
49072204

Charge

0 of 3 defined stereocentres - 0/3 defined

Non-standard isotope
InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1/i1D3,2D3,3D3,4D3,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,14D2,15D2,16D,17D;
C20H3D34NaO7S478.76793300
9212797

Charge

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1/t16-,17-,18?;/m0./s1
C20H37NaO7S444.55832100
9298306

Charge

0 of 3 defined stereocentres - 0/3 defined

Non-standard isotope
InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1/i14D2;
C20H35D2NaO7S446.57071100
9986983

Charge

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1/t16-,17-,18?;/m1./s1
C20H37NaO7S444.55831100
29316575

Charge

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1/t16-,17+,18?;/m1./s1
C20H37NaO7S444.55831100
29316576

Charge

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1/t16-,17+,18?;/m0./s1
C20H37NaO7S444.55831100
34990371

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1/t16-,17-,18-;/m0./s1
C20H37NaO7S444.55831100
34990372

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1/t16-,17-,18-;/m1./s1
C20H37NaO7S444.55831100
34990373

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1/t16-,17+,18+;/m1./s1
C20H37NaO7S444.55831100
34990374

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1/t16-,17+,18+;/m0./s1
C20H37NaO7S444.55831100
34990375

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1/t16-,17+,18-;/m0./s1
C20H37NaO7S444.55831100
34990376

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1/t16-,17+,18-;/m1./s1
C20H37NaO7S444.55831100
34990377

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1/t16-,17-,18+;/m1./s1
C20H37NaO7S444.55831100
34990378

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1/t16-,17-,18+;/m0./s1
C20H37NaO7S444.55831100

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