Basic information
- Standard SMILES
CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2c(c1)OC(C)(C)CC2C(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
YSDNIZQJSANXDP-UHFFFAOYSA-N- Molecular formula
- C34H41NO6
- Average molar mass
- 559.7 g/mol
Names & identifiers
- Preferred name
- p-Nitrophenyl 5-benzyloxy-2,2-dimethyl-7-(1,1-dimethylheptyl)-3,4-dihydro-2H-benzopyran-4-carboxylate
- IUPAC
- (4-nitrophenyl) 2,2-dimethyl-7-(2-methyloctan-2-yl)-5-phenylmethoxy-3,4-dihydrochromene-4-carboxylate
Names & synonyms
SCHEMBL10367259YSDNIZQJSANXDP-UHFFFAOYSA-Np-Nitrophenyl 5-benzyloxy-2,2-dimethyl-7-(1,1-dimethylheptyl)-3,4-dihydro-2H-benzopyran-4-carboxylate
Database identifiers
- PubChem CID
- 13364580
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 839
Related reactions
6 records
Compound notes
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