Matches any text strings used to describe a molecule.
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 4 results

Search term: VWZXXWQOKCWKSB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8161514

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C28H34O14/c1-13(30)42-28(2)10-17(39-19(32)9-6-14-4-7-15(31)8-5-14)20-16(25(36)37-3)12-38-26(21(20)28)41-27-24(35)23(34)22(33)18(11-29)40-27/h4-9,12,17-18,20-24,26-27,29,31,33-35H,10-11H2,1-3H3/b9-6-/t17-,18-,20?,21?,22-,23+,24-,26+,27+,28+/m1/s1
C28H34O14594.56122100
8659030

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C28H34O14/c1-13(30)42-28(2)10-17(39-19(32)9-6-14-4-7-15(31)8-5-14)20-16(25(36)37-3)12-38-26(21(20)28)41-27-24(35)23(34)22(33)18(11-29)40-27/h4-9,12,17-18,20-24,26-27,29,31,33-35H,10-11H2,1-3H3/b9-6+/t17-,18-,20?,21?,22-,23+,24-,26+,27+,28+/m1/s1
C28H34O14594.56122100
23551108

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H34O14/c1-13(30)42-28(2)10-17(39-19(32)9-6-14-4-7-15(31)8-5-14)20-16(25(36)37-3)12-38-26(21(20)28)41-27-24(35)23(34)22(33)18(11-29)40-27/h4-9,12,17-18,20-24,26-27,29,31,33-35H,10-11H2,1-3H3/b9-6-/t17-,18-,20+,21-,22-,23+,24-,26+,27+,28+/m1/s1
C28H34O14594.56122200
23551483

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H34O14/c1-13(30)42-28(2)10-17(39-19(32)9-6-14-4-7-15(31)8-5-14)20-16(25(36)37-3)12-38-26(21(20)28)41-27-24(35)23(34)22(33)18(11-29)40-27/h4-9,12,17-18,20-24,26-27,29,31,33-35H,10-11H2,1-3H3/b9-6+/t17-,18-,20+,21-,22-,23+,24-,26+,27+,28+/m1/s1
C28H34O14594.56122200

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