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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 9 results

Search term: C34H56O14 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29763717

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C34H56O14/c1-21-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26(37)47-31-25(20-43-23(3)36)46-33(30(41)29(31)40)48-32-28(39)27(38)24(19-42-22(2)35)45-34(32)44-21/h4-5,21,24-25,27-34,38-41H,6-20H2,1-3H3/b5-4-/t21-,24+,25+,27+,28-,29+,30+,31+,32+,33-,34+/m0/s1
C34H56O14688.8131300
45743340

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C34H56O14/c1-21-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26(37)47-31-25(20-43-23(3)36)46-33(30(41)29(31)40)48-32-28(39)27(38)24(19-42-22(2)35)45-34(32)44-21/h4-5,21,24-25,27-34,38-41H,6-20H2,1-3H3/b5-4+/t21-,24+,25+,27+,28-,29+,30+,31+,32+,33-,34+/m0/s1
C34H56O14688.85500
68025535

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C34H56O14/c1-21-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26(37)47-31-25(20-43-23(3)36)46-33(30(41)29(31)40)48-32-28(39)27(38)24(19-42-22(2)35)45-34(32)44-21/h4-5,21,24-25,27-34,38-41H,6-20H2,1-3H3/b5-4+/t21-,24+,25+,27+,28-,29+,30+,31+,32+,33-,34?/m0/s1
C34H56O14688.81100
71044112

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C34H56O14/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-22,24-27,32,36H,5-20H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t21-,22+,24+,25+,26-,27-,32+/m0/s1
C34H56O14688.81500
76963532

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C34H56O14/c1-21-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26(37)47-31-25(20-43-23(3)36)46-33(30(41)29(31)40)48-32-28(39)27(38)24(19-42-22(2)35)45-34(32)44-21/h4-5,21,24-25,27-34,38-41H,6-20H2,1-3H3/b5-4-/t21-,24+,25+,27+,28-,29+,30+,31+,32+,33-,34?/m0/s1
C34H56O14688.81100
78440355

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C34H56O14/c1-12-7-13(2)22-18(8-12)24(37)16(5)21-14(3)9-15(4)30(47-32(43)23(21)22)17(6)44-34-29(42)31(26(39)20(11-36)46-34)48-33-28(41)27(40)25(38)19(10-35)45-33/h12-23,25-31,33-36,38-42H,7-11H2,1-6H3/t12-,13+,14+,15-,16+,17?,18-,19-,20-,21-,22-,23-,25-,26-,27+,28-,29-,30-,31+,33+,34-/m1/s1
C34H56O14688.81100
95601756

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C34H56O14/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-22,24-27,32,36H,5-20H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t21-,22-,24+,25+,26-,27-,32-/m0/s1
C34H56O14688.81100
123962080

Double-bond stereo

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C34H56O14/c1-21-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26(37)47-31-25(20-43-23(3)36)46-33(30(41)29(31)40)48-32-28(39)27(38)24(19-42-22(2)35)45-34(32)44-21/h4-5,21,24-25,27-34,38-41H,6-20H2,1-3H3/b5-4-/t21-,24+,25+,27+,28-,29?,30?,31+,32+,33-,34?/m0/s1
C34H56O14688.81100

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