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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 53 results

Search term: C35H44O16 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444685

Double-bond stereo

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1
C35H44O16720.7143536128995
28296099

Double-bond stereo

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)31(26(39)43-6)13-46-21-22(31)29(18,4)25-32(23(21)37)14-47-34(25,27(40)44-7)51-30(5)17-11-20(35(30,32)42)50-28-33(17,41)9-10-45-28/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22?,23-,25-,28+,29+,30+,31+,32-,33+,34-,35+/m1/s1
C35H44O16720.7143171900
4445169

Double-bond stereo

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(37)49-18-12-19(48-16(3)36)32(26(38)43-6)13-46-21-22(32)31(18)14-47-34(41,27(39)44-7)25(31)29(4)23(21)51-30(5)17-11-20(35(29,30)42)50-28-33(17,40)9-10-45-28/h8-10,17-23,25,28,40-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30-,31+,32+,33+,34+,35+/m1/s1
C35H44O16720.714269800
4528505

Double-bond stereo

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)31(26(39)43-6)13-46-21-22(31)29(18,4)25-32(23(21)37)14-47-34(25,27(40)44-7)51-30(5)17-11-20(35(30,32)42)50-28-33(17,41)9-10-45-28/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+
C35H44O16720.71437800
4642620

Double-bond stereo

13 of 16 defined stereocentres - 13/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22?,23-,25+,28?,29-,30+,31+,32+,33+,34+,35?/m1/s1
C35H44O16720.71437600
10619174

Double-bond stereo

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+
C35H44O16720.7143716000
2176

Double-bond stereo

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3
C35H44O16720.71436500
21865381

Double-bond stereo

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18-,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1
C35H44O16720.71435500
4946582

Double-bond stereo

14 of 16 defined stereocentres - 14/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19+,20?,21+,22-,23+,25+,28-,29+,30-,31?,32-,33-,34-,35-/m0/s1
C35H44O16720.71434500
5140637

Double-bond stereo

13 of 16 defined stereocentres - 13/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/t17-,18+,19-,20+,21-,22?,23-,25+,28?,29-,30+,31+,32+,33+,34+,35?/m1/s1
C35H44O16720.71433200
24712948

Double-bond stereo

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18-,19+,20+,21+,22+,23+,25-,28-,29+,30-,31-,32-,33-,34-,35-/m0/s1
C35H44O16720.71433300
385030

Double-bond stereo

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)31(26(39)43-6)13-46-21-22(31)29(18,4)25-32(23(21)37)14-47-34(25,27(40)44-7)51-30(5)17-11-20(35(30,32)42)50-28-33(17,41)9-10-45-28/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3
C35H44O16720.71433200
4895561

Double-bond stereo

12 of 16 defined stereocentres - 12/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17?,18-,19+,20?,21+,22+,23+,25-,28-,29+,30?,31-,32-,33?,34-,35-/m0/s1
C35H44O16720.71433200
4941228

Double-bond stereo

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18-,19+,20?,21+,22+,23+,25-,28-,29+,30-,31-,32-,33-,34-,35-/m0/s1
C35H44O16720.71432200
4885197

Double-bond stereo

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18-,19?,20-,21+,22+,23+,25-,28-,29+,30-,31-,32-,33-,34-,35-/m0/s1
C35H44O16720.71432200
27023604

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C35H44O16/c1-15(36)47-21-12-34(43)32(7)25(24(29(41)45-8)48-16(2)37)30(5)14-33(32,42)23(27(30)49-17(3)38)28(50-18(4)39)35(34,44)20-11-22(40)51-26(31(20,21)6)19-9-10-46-13-19/h9-10,13,20-21,23-28,42-44H,11-12,14H2,1-8H3/t20-,21+,23-,24-,25+,26+,27-,28-,30-,31+,32-,33+,34+,35-/m1/s1
C35H44O16720.71432200
21169550

Double-bond stereo

5 of 16 defined stereocentres - 5/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/t17?,18-,19?,20?,21+,22+,23?,25?,28?,29?,30?,31?,32-,33?,34-,35?/m0/s1
C35H44O16720.71432200
8525383

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C35H44O16/c1-9-17(2)30(42)50-28-25(47-19(4)37)29(49-21(6)39)34(16-45-18(3)36)27(48-20(5)38)24(40)23-26(41)35(34,33(28,8)44)51-32(23,7)15-46-31(43)22-13-11-10-12-14-22/h10-14,17,23,25-29,41,44H,9,15-16H2,1-8H3/t17?,23-,25+,26-,27-,28+,29+,32+,33+,34-,35+/m1/s1
C35H44O16720.71432100
8637987

Double-bond stereo

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8-/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1
C35H44O16720.71432100
58925455

Double-bond stereo

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35-/m1/s1
C35H44O16720.71432200
123

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