Basic information
- CAS
71349-39-8- Standard SMILES
O=C1Oc2ccccc2OC(=O)c2ccc(o2)CSCc2ccc1o2- InChIKey
ZQABGRVSSJABMF-UHFFFAOYSA-N- Molecular formula
- C18H12O6S
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.03545927
Names & identifiers
- Preferred name
- 3,6:10,13-Diepoxy-1,15,8-benzodioxathiacycloheptadecin-2,14(7H,9H)-dione
- IUPAC
- 3,10,22,23-tetraoxa-17-thiatetracyclo[17.2.1.112,15.04,9]tricosa-1(21),4,6,8,12,14,19-heptaene-2,11-dione
- English name
- 2,16,22,23-Tetraoxa-9-thiatetracyclo[15.3.1.14,7.111,14]tricosa-1(21),4,6,11,13,17,19-heptaene-3,15-dione
- Molecular formula
- C18H12O6S
- Molecular weight
- 356.34928
Names & synonyms
BRN 166417371349-39-83,6:10,13-Diepoxy-1,15,8-benzodioxathiacycloheptadecin-2,14(7H,9H)-dione2-Furoic acid, 5,5'-thiodimethylenedi-, cyclic ester with pyrocatecholBRN 1665820DTXSID909916752-Furoic acid, 5,5'-thiodimethylenedi-, cyclic ester with resorcinol2,16,22,23-Tetraoxa-9-thiatetracyclo(15.3.1.1(sup 4,7).1(sup 14))-tricosa-1(21),4,6,11,13,17,19-heptaene-3,15-dione3,5-Dioxa-9-thia-1,7(2,5)-difurana-4(1,2)-benzenacyclodecaphane-2,6-dione3,6:10,13-Diepoxy-1,15,8-benzodioxathiacycloheptadecine-2,14(7H,9H)-dione71349-40-1Reaxys ID: 1665820
Show more names
2,16,22,23-Tetraoxa-9-thiatetracyclo[15.3.1.14,7.111,14]tricosa-1(21),4,6,11,13,17,19-heptaene-3,15-dione
Database identifiers
- CAS
71349-39-8、71349-40-1- PubChem CID
- 153307
- DTXSID
DTXSID90991675
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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