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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
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Found 75 results

Search term: C28H34O14 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16498764

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
C28H34O14594.5612525310
390894

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
C28H34O14594.5612494900
76426

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17?,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
C28H34O14594.5612241800
28424448

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H34O14/c1-14(30)42-27(2)11-18(40-19(31)10-9-15-7-5-4-6-8-15)28(36)16(24(35)37-3)13-38-26(23(27)28)41-25-22(34)21(33)20(32)17(12-29)39-25/h4-10,13,17-18,20-23,25-26,29,32-34,36H,11-12H2,1-3H3/b10-9+/t17-,18-,20-,21+,22-,23-,25+,26+,27+,28-/m1/s1
C28H34O14594.5612191400
8114125

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3/t11-,17?,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
C28H34O14594.5612141200
71041965

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H34O14/c29-11-18-21(32)23(34)25(36)27(41-18)39-16-6-1-14(2-7-16)5-10-20(31)38-13-15-3-8-17(9-4-15)40-28-26(37)24(35)22(33)19(12-30)42-28/h1-10,18-19,21-30,32-37H,11-13H2/b10-5+/t18-,19-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1
C28H34O14594.5612121100
419385

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3/t11-,17?,19+,21-,22+,23+,24-,25+,26+,27?,28+/m0/s1
C28H34O14594.561210600
9268315

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H34O14/c1-11-19(32)18-15(31)7-16(13-3-5-14(30)6-4-13)40-24(18)12(2)23(11)42-26-22(35)21(34)20(33)17(41-26)8-38-27-25(36)28(37,9-29)10-39-27/h3-6,16-17,20-22,25-27,29-30,32-37H,7-10H2,1-2H3/t16-,17+,20+,21-,22+,25-,26-,27+,28+/m0/s1
C28H34O14594.56121091810
22913646

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17+,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
C28H34O14594.56126300
24658126

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H34O14/c1-36-17-8-13(9-18(37-2)22(17)31)4-7-20(30)39-12-19-23(32)24(33)25(34)28(41-19)42-27-21-14(10-29)5-6-15(21)16(11-40-27)26(35)38-3/h4-5,7-9,11,15,19,21,23-25,27-29,31-34H,6,10,12H2,1-3H3/b7-4+/t15-,19-,21-,23-,24+,25-,27+,28+/m1/s1
C28H34O14594.56125500
77297

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3
C28H34O14594.56125400
26391952

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H34O14/c29-12-20-23(41-21(34)8-4-16-3-7-18(32)19(33)11-16)22(35)24(42-27-25(36)28(37,13-30)14-39-27)26(40-20)38-10-9-15-1-5-17(31)6-2-15/h1-8,11,20,22-27,29-33,35-37H,9-10,12-14H2/b8-4+/t20-,22+,23-,24-,25+,26-,27+,28-/m1/s1
C28H34O14594.56125600
26392067

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H34O14/c29-12-20-22(35)23(41-21(34)8-4-16-3-7-18(32)19(33)11-16)24(42-27-25(36)28(37,13-30)14-39-27)26(40-20)38-10-9-15-1-5-17(31)6-2-15/h1-8,11,20,22-27,29-33,35-37H,9-10,12-14H2/b8-4+/t20-,22-,23+,24-,25+,26-,27+,28-/m1/s1
C28H34O14594.56124400
3661889

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3
C28H34O14594.56115999999941100
286583

Double-bond stereo

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C28H34O14/c1-38-18-10-16(40-28-26(37)24(35)22(33)20(12-30)42-28)8-4-14(18)5-9-17(31)13-2-6-15(7-3-13)39-27-25(36)23(34)21(32)19(11-29)41-27/h2-10,19-30,32-37H,11-12H2,1H3
C28H34O14594.56123200
101935847

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C28H34O14/c1-10-20(33)24(37)27(42-28-25(38)23(36)22(35)18(9-29)41-28)17(39-10)8-14-21(34)19-15(32)6-13(31)7-16(19)40-26(14)11-2-4-12(30)5-3-11/h2-7,10,14,17-18,20,22-33,35-38H,8-9H2,1H3/t10-,14?,17-,18+,20-,22+,23-,24+,25+,26?,27-,28-/m0/s1
C28H34O14594.56123300
58802141

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H34O14/c1-12-21(32)23(34)25(36)27(40-12)39-11-19-22(33)24(35)26(37)28(42-19)41-15-9-17(30)20(18(31)10-15)16(29)8-5-13-3-6-14(38-2)7-4-13/h3-10,12,19,21-28,30-37H,11H2,1-2H3/b8-5+/t12-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
C28H34O14594.56123400
8252747

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H34O14/c1-33-13-39-23-9-17(21(29)11-25(23)41-15-35-3)7-19(27(31)37-5)20(28(32)38-6)8-18-10-24(40-14-34-2)26(12-22(18)30)42-16-36-4/h7-12,19-20H,13-16H2,1-6H3/b17-7+,18-8+
C28H34O14594.56122100
8252748

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H34O14/c1-15(29)37-14-23(39-17(3)31)25(41-19(5)33)26-24(40-18(4)32)22(38-16(2)30)13-28(42-26,27(35)36-6)12-21(34)20-10-8-7-9-11-20/h7-11,22-26H,12-14H2,1-6H3/t22-,23+,24+,25-,26+,28+/m0/s1
C28H34O14594.56122100
26343459

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H34O14/c1-7-8-9-10-20(33)40-18-11-17-21(24(22(18)35-6)38-15(4)31)25-27(42-28(17)34)26(39-16(5)32)23(37-14(3)30)19(41-25)12-36-13(2)29/h11,19,23,25-27H,7-10,12H2,1-6H3/t19-,23-,25+,26+,27+/m1/s1
C28H34O14594.56122200
1234

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