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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 12 results

Search term: DBOVHQOUSDWAPQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
103033

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1
C29H30O13586.5407444606
2752267

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2
C29H30O13586.54069999999931300
8802553

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17?,21-,23-,24+,25-,28+,29+/m1/s1/i18+1
C2813CH30O13587.53342200
8874029

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17?,21-,23-,24+,25-,28+,29+/m1/s1/i9+1,10+1,15+1,20+1,22+1,27+1
C2313C6H30O13592.49662200
8874130

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17?,21-,23-,24+,25-,28+,29+/m1/s1/i1+1,4+1,6+1,8+1,9+1,10+1,11+1,12+1,22+1,26+1,28+1,29+1
C1713C12H30O13598.45262200
8874340

7 of 8 defined stereocentres - 7/8 defined

Non-standard isotope
InChI=1/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17?,21-,23-,24+,25-,28+,29+/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,8+1,9+1,10+1,11+1,12+1,13+1,15+1,16+1,17+1,18+1,19+1,20+1,21+1,22+1,23+1,25+1,26+1,27+1,28+1,29+1
C313C26H30O13612.34972200
115041044

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17-,21+,23-,24-,25+,28-,29-/m0/s1
C29H30O13586.54072200
82827408

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m0/s1
C29H30O13586.54071100
113609074

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17-,21+,23+,24-,25-,28-,29+/m0/s1
C29H30O13586.54071100
114393279

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17-,21-,23-,24-,25+,28+,29-/m0/s1
C29H30O13586.54071100
114642309

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17-,21+,23+,24-,25-,28-,29-/m0/s1
C29H30O13586.54071100
114642973

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28-,29+/m1/s1
C29H30O13586.54071100

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