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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 24 results

Search term: VWBQYTRBTXKKOG (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
49400

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17+,18+,19-,20-,22-;/m0./s1
C23H35NaO7446.509693165861
23937034

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17-,18+,19-,20-,22-;/m0./s1
C23H35NaO7446.5096131600
3328563

Charge

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1
C23H35NaO7446.5096103100
48063222

Charge

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17+,18+,19-,20-,22-;/m0./s1/i2D3;
C23H32D3NaO7449.52818800
8022120

Charge

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17+,18+,19-,20?,22-;/m0./s1
C23H35NaO7446.50965500
58784220

Charge

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13?,14-,16+,17+,18+,19-,20-,22-;/m0./s1/i1D3,2D3,4D2,13D;
C23H26D9NaO7455.5654300
17600661

Charge

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13?,14-,16+,17+,18+,19-,20-,22?;/m0./s1
C23H35NaO7446.50964400
8541733

Charge

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17+,18+,19-,20-,22?;/m0./s1
C23H35NaO7446.50963400
57426023

Charge

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16?,17+,18?,19-,20?,22?;/m0./s1
C23H35NaO7446.50961100
29787893

Charge

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16?,17+,18?,19-,20?,22-;/m0./s1
C23H35NaO7446.50961100
78315740

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17-,18-,19-,20+,22-;/m0./s1
C23H35NaO7446.50961100
110103306

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17+,18+,19-,20-,22-;/m1./s1
C23H35NaO7446.50961100
113630601

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17-,18+,19-,20-,22-;/m1./s1
C23H35NaO7446.50961100
113630642

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16-,17+,18-,19-,20-,22-;/m0./s1
C23H35NaO7446.50961100
114395122

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17+,18+,19-,20+,22+;/m0./s1
C23H35NaO7446.50961100
114395153

Charge

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17+,18-,19-,20-,22-;/m0./s1/i2D3;
C23H32D3NaO7449.52811100
114395154

Charge

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17-,18-,19-,20-,22-;/m0./s1
C23H35NaO7446.50961100
114566083

Charge

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13?,14-,16+,17+,18+,19-,20-,22-;/m1./s1/i1D3,2D3,4D2,13D;
C23H26D9NaO7455.5651100
12

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