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 17 results

Search term: XAKKNLNAJBNLPC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5020189

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/b5-4+,26-12-/t13-,18-,29?/m1/s1
C20H25FN8O6S2556.5909273200
4940833

Charge

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/p+1/b5-4+,26-12-/t13-,18-,29?/m1/s1
C20H26FN8O6S2557.59836500
5257309

Charge

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/p+1/b5-4+,26-12+/t13-,18-,29?/m1/s1
C20H26FN8O6S2557.59834300
4940832

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/b5-4+,26-12+/t13-,18-,29?/m1/s1
C20H25FN8O6S2556.59094300
3685673

Charge

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/p+1
C20H26FN8O6S2557.5988431999992100
4816929

Charge

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/p+1/b5-4+,26-12-
C20H26FN8O6S2557.59832100
8251984

Charge

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/p+1/b5-4+,26-12+/t13-,18-,29?/m1/s1/i11+2
C1914CH26FN8O6S2559.59082200
8658289

Charge

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined

Non-standard isotope
InChI=1/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/p+1/b5-4+,26-12-/i20+2
C1914CH26FN8O6S2559.59082200
34983668

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/b5-4+,26-12-/t13-,18-,29-/m1/s1
C20H25FN8O6S2556.59091100
34983669

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/b5-4+,26-12-/t13-,18-,29+/m1/s1
C20H25FN8O6S2556.59091100
68027067

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/b5-4+,26-12+/t13?,18-,29?/m0/s1
C20H25FN8O6S2556.59091100
8658288

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined

Non-standard isotope
InChI=1/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/b5-4+,26-12-/i20+2
C1914CH25FN8O6S2558.58341100
8251983

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/b5-4+,26-12+/t13-,18-,29?/m1/s1/i11+2
C1914CH25FN8O6S2558.58341200
4904596

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/b5-4+,26-12-
C20H25FN8O6S2556.59091100
3685672

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)
C20H25FN8O6S2556.5909031999991100

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