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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 9 results

Search term: SNZQBBATMLGADX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9617608

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H44O4/c1-18(9-8-10-19(2)26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h10-11,13,18,22-23,25,32H,8-9,12,14-17H2,1-7H3,(H,33,34)/b19-10+/t18-,22-,23+,25+,28-,29-,30-/m1/s1
C30H44O4468.668141300
57257096

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C30H44O4/c1-18(9-8-10-19(2)26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h10-11,13,18,22-23,25,32H,8-9,12,14-17H2,1-7H3,(H,33,34)/b19-10+/t18-,22-,23?,25+,28-,29-,30-/m1/s1
C30H44O4468.6684200
57579898

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H44O4/c1-18(9-8-10-19(2)26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h10-11,13,18,22-23,25,32H,8-9,12,14-17H2,1-7H3,(H,33,34)/t18-,22-,23+,25+,28-,29-,30-/m1/s1
C30H44O4468.6682100
24671128

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H44O4/c1-18(9-8-10-19(2)26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h10-11,13,18,22-23,25,32H,8-9,12,14-17H2,1-7H3,(H,33,34)/b19-10-/t18-,22-,23+,25+,28-,29-,30-/m1/s1
C30H44O4468.6682200
24673173

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H44O4/c1-18(9-8-10-19(2)26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h10-11,13,18,22-23,25,32H,8-9,12,14-17H2,1-7H3,(H,33,34)/b19-10+/t18-,22-,23+,25-,28-,29-,30-/m1/s1
C30H44O4468.6682200
28287723

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C30H44O4/c1-18(9-8-10-19(2)26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h10-11,13,18,22-23,25,32H,8-9,12,14-17H2,1-7H3,(H,33,34)/b19-10+/t18?,22-,23?,25-,28-,29-,30-/m1/s1
C30H44O4468.6681100
82965373

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H44O4/c1-18(9-8-10-19(2)26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h10-11,13,18,22-23,25,32H,8-9,12,14-17H2,1-7H3,(H,33,34)/b19-10+/t18-,22-,23+,25+,28-,29-,30-/m0/s1
C30H44O4468.6681100
113601112

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C30H44O4/c1-18(9-8-10-19(2)26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h10-11,13,18,22-23,25,32H,8-9,12,14-17H2,1-7H3,(H,33,34)/b19-10+/t18-,22-,23?,25+,28-,29-,30-/m0/s1
C30H44O4468.6681100
113609657

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C30H44O4/c1-18(9-8-10-19(2)26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h10-11,13,18,22-23,25,32H,8-9,12,14-17H2,1-7H3,(H,33,34)/t18-,22+,23?,25+,28+,29-,30-/m1/s1
C30H44O4468.6681100

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