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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
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Single/Multi-component
Isotopically Labeled
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Found 15 results

Search term: C28H30O17 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29814378

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H30O17/c29-6-13-16(32)20(36)22(38)27(42-13)45-26-21(37)17(33)14(7-30)43-28(26)44-25-19(35)15-11(5-12-24(18(15)34)40-8-39-12)41-23(25)9-1-3-10(31)4-2-9/h1-5,13-14,16-17,20-22,26-34,36-38H,6-8H2/t13-,14-,16-,17-,20+,21+,22-,26-,27+,28+/m1/s1
C28H30O17638.52765300
84487583

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C28H30O17/c1-28(40,7-16(33)34)8-17(35)42-9-15-19(36)21(38)22(39)27(43-15)45-26-20(37)18-13(31)6-14(32)24(41-2)25(18)44-23(26)10-3-4-11(29)12(30)5-10/h3-6,15,19,21-22,27,29-32,36,38-40H,7-9H2,1-2H3,(H,33,34)/t15-,19-,21+,22-,27+,28?/m1/s1
C28H30O17638.52764200
59001479

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H30O17/c1-8-16(32)20(36)22(38)27(41-8)45-26-21(37)17(33)14(6-29)43-28(26)44-25-19(35)15-12(5-13-24(18(15)34)40-7-39-13)42-23(25)9-2-3-10(30)11(31)4-9/h2-5,8,14,16-17,20-22,26-34,36-38H,6-7H2,1H3/t8-,14+,16-,17+,20+,21-,22+,26+,27-,28-/m0/s1
C28H30O17638.52762200
59001579

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H30O17/c1-8-16(31)20(35)22(37)27(42-8)39-6-14-17(32)21(36)23(38)28(44-14)45-26-19(34)15-12(5-13-25(18(15)33)41-7-40-13)43-24(26)9-2-3-10(29)11(30)4-9/h2-5,8,14,16-17,20-23,27-33,35-38H,6-7H2,1H3/t8-,14+,16-,17+,20+,21-,22+,23+,27+,28-/m0/s1
C28H30O17638.52762200
24845678

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C28H30O17/c29-10-3-1-9(2-4-10)24-22(38)20(36)16-11(30)5-14(19(35)25(16)45-24)43-26-23(39)21(37)18(34)15(44-26)8-42-27(40)28(41)6-12(31)17(33)13(32)7-28/h1-5,12-13,15,17-18,21,23,26,29-35,37-39,41H,6-8H2/t12-,13-,15?,17-,18-,21+,23?,26-,28+/m1/s1
C28H30O17638.52762200
9017086

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H30O17/c1-9(30)41-26-22(38)20(36)17(7-29)44-28(26)45-25-21(37)18-14(33)5-11(42-27-23(39)19(35)15(34)8-40-27)6-16(18)43-24(25)10-2-3-12(31)13(32)4-10/h2-6,15,17,19-20,22-23,26-29,31-36,38-39H,7-8H2,1H3/t15-,17-,19-,20+,22+,23+,26-,27+,28+/m1/s1
C28H30O17638.52762100
9673090

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H30O17/c1-9(29)42-26-19(35)15(34)7-40-28(26)41-8-17-20(36)22(38)23(39)27(44-17)45-25-21(37)18-14(33)5-11(30)6-16(18)43-24(25)10-2-3-12(31)13(32)4-10/h2-6,15,17,19-20,22-23,26-28,30-36,38-39H,7-8H2,1H3/t15-,17+,19-,20+,22-,23+,26+,27-,28-/m0/s1
C28H30O17638.52762100
24619982

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C28H30O17/c1-40-15-4-9(2-3-11(15)30)14-7-13(32)18-12(31)5-10(6-16(18)42-14)41-28-25(21(35)19(33)17(8-29)43-28)45-27-23(37)20(34)22(36)24(44-27)26(38)39/h2-7,17,19-25,27-31,33-37H,8H2,1H3,(H,38,39)/t17-,19-,20+,21+,22+,23-,24+,25-,27+,28-/m1/s1
C28H30O17638.52762200
24843593

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C28H30O17/c1-40-10-4-2-9(3-5-10)24-20(34)17(31)15-12(42-24)6-11(41-27-23(37)19(33)21(35)25(45-27)26(38)39)7-13(15)43-28-22(36)18(32)16(30)14(8-29)44-28/h2-7,14,16,18-19,21-23,25,27-30,32-37H,8H2,1H3,(H,38,39)/t14?,16-,18+,19+,21+,22?,23?,25?,27-,28-/m1/s1
C28H30O17638.52761100
24843897

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C28H30O17/c1-9(30)41-20-8-40-27(25(38)23(20)36)44-17-5-13(32)12(31)4-11(17)16-6-15(34)21-14(33)2-10(3-18(21)43-16)42-28-26(39)24(37)22(35)19(7-29)45-28/h2-6,19-20,22-29,31-33,35-39H,7-8H2,1H3/t19?,20-,22-,23+,24+,25?,26?,27+,28-/m1/s1
C28H30O17638.52761100
24958746

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C28H30O17/c1-8-23(21(37)22(38)28(42-8)41-7-15-17(33)19(35)20(36)26(44-15)27(39)40)45-25-18(34)16-13(32)5-10(29)6-14(16)43-24(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-23,26,28-33,35-38H,7H2,1H3,(H,39,40)/t8?,15?,17-,19-,20-,21-,22+,23-,26-,28+/m0/s1
C28H30O17638.52761100
28286954

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C28H30O17/c1-40-26(39)25-20(36)19(35)22(38)27(45-25)41-11-6-12(31)15-13(7-11)42-23(9-2-4-10(30)5-3-9)24(17(15)33)44-28-21(37)18(34)16(32)14(8-29)43-28/h2-7,14,16,18-22,25,27-32,34-38H,8H2,1H3/t14-,16-,18-,19-,20+,21+,22-,25+,27?,28?/m1/s1
C28H30O17638.52761100
115269480

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H30O17/c1-40-10-4-2-9(3-5-10)24-20(34)17(31)15-12(42-24)6-11(41-27-23(37)19(33)21(35)25(45-27)26(38)39)7-13(15)43-28-22(36)18(32)16(30)14(8-29)44-28/h2-7,14,16,18-19,21-23,25,27-30,32-37H,8H2,1H3,(H,38,39)/t14-,16-,18+,19+,21+,22-,23-,25+,27-,28-/m1/s1
C28H30O17638.52761100
115269640

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H30O17/c1-9(30)41-20-8-40-27(25(38)23(20)36)44-17-5-13(32)12(31)4-11(17)16-6-15(34)21-14(33)2-10(3-18(21)43-16)42-28-26(39)24(37)22(35)19(7-29)45-28/h2-6,19-20,22-29,31-33,35-39H,7-8H2,1H3/t19-,20-,22-,23+,24+,25-,26-,27+,28-/m1/s1
C28H30O17638.52761100
127383857

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H30O17/c29-6-13-16(32)20(36)22(38)27(42-13)45-26-21(37)17(33)14(7-30)43-28(26)44-25-19(35)15-11(5-12-24(18(15)34)40-8-39-12)41-23(25)9-1-3-10(31)4-2-9/h1-5,13-14,16-17,20-22,26-34,36-38H,6-8H2/t13-,14-,16+,17-,20+,21+,22-,26-,27+,28-/m1/s1
C28H30O17638.52761100

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