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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 10 results

Search term: MEPUSQCBPSPYRT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
62784798

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H40O3/c1-26(2)14-8-15-27(3)22(26)18-24(32-25(30)12-11-20-9-6-5-7-10-20)29-16-13-21(17-23(27)29)28(4,31)19-29/h5-7,9-12,21-24,31H,8,13-19H2,1-4H3/b12-11+/t21-,22+,23-,24+,27+,28+,29+/m0/s1
C29H40O3436.62618600
62784799

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H40O3/c1-26(2)14-8-15-27(3)22(26)18-24(32-25(30)12-11-20-9-6-5-7-10-20)29-16-13-21(17-23(27)29)28(4,31)19-29/h5-7,9-12,21-24,31H,8,13-19H2,1-4H3/b12-11+/t21-,22+,23-,24+,27+,28-,29+/m0/s1
C29H40O3436.62617600
114794555

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C29H40O3/c1-26(2)14-8-15-27(3)22(26)18-24(32-25(30)12-11-20-9-6-5-7-10-20)29-16-13-21(17-23(27)29)28(4,31)19-29/h5-7,9-12,21-24,31H,8,13-19H2,1-4H3/b12-11+
C29H40O3436.62615800
115015754

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H40O3/c1-26(2)14-8-15-27(3)22(26)18-24(32-25(30)12-11-20-9-6-5-7-10-20)29-16-13-21(17-23(27)29)28(4,31)19-29/h5-7,9-12,21-24,31H,8,13-19H2,1-4H3/b12-11+/t21-,22-,23+,24-,27-,28+,29+/m1/s1
C29H40O3436.62611100
82965090

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H40O3/c1-26(2)14-8-15-27(3)22(26)18-24(32-25(30)12-11-20-9-6-5-7-10-20)29-16-13-21(17-23(27)29)28(4,31)19-29/h5-7,9-12,21-24,31H,8,13-19H2,1-4H3/b12-11+/t21-,22+,23-,24+,27+,28+,29+/m1/s1
C29H40O3436.62611100
82965091

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H40O3/c1-26(2)14-8-15-27(3)22(26)18-24(32-25(30)12-11-20-9-6-5-7-10-20)29-16-13-21(17-23(27)29)28(4,31)19-29/h5-7,9-12,21-24,31H,8,13-19H2,1-4H3/b12-11+/t21-,22+,23-,24+,27+,28-,29+/m1/s1
C29H40O3436.62611100
95532297

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C29H40O3/c1-26(2)14-8-15-27(3)22(26)18-24(32-25(30)12-11-20-9-6-5-7-10-20)29-16-13-21(17-23(27)29)28(4,31)19-29/h5-7,9-12,21-24,31H,8,13-19H2,1-4H3/b12-11+/t21?,22-,23+,24?,27-,28-,29-/m1/s1
C29H40O3436.62611100
95532581

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C29H40O3/c1-26(2)14-8-15-27(3)22(26)18-24(32-25(30)12-11-20-9-6-5-7-10-20)29-16-13-21(17-23(27)29)28(4,31)19-29/h5-7,9-12,21-24,31H,8,13-19H2,1-4H3/b12-11+/t21?,22-,23+,24?,27-,28+,29-/m1/s1
C29H40O3436.62611100
113610591

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H40O3/c1-26(2)14-8-15-27(3)22(26)18-24(32-25(30)12-11-20-9-6-5-7-10-20)29-16-13-21(17-23(27)29)28(4,31)19-29/h5-7,9-12,21-24,31H,8,13-19H2,1-4H3/b12-11+/t21-,22-,23-,24-,27+,28+,29-/m1/s1
C29H40O3436.62611100
113610592

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H40O3/c1-26(2)14-8-15-27(3)22(26)18-24(32-25(30)12-11-20-9-6-5-7-10-20)29-16-13-21(17-23(27)29)28(4,31)19-29/h5-7,9-12,21-24,31H,8,13-19H2,1-4H3/b12-11+/t21-,22-,23-,24-,27+,28-,29-/m1/s1
C29H40O3436.62611100

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