Benzoic acid, 4-(dimethylamino)-, 2,3-dihydro-2,3-fluoranthenediyl ester, (2S-trans)-

HCID 178689

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Basic information

CAS: 143192-45-4
Standard SMILES: CN(C)c1ccc(C(=O)O[C@H]2C=C3c4ccccc4-c4cccc(c43)[C@@H]2OC(=O)c2ccc(N(C)C)cc2)cc1
InChIKey: MULLWWLECXVJIQ-CDZUIXILSA-N
Molecular formula: C34H30N2O4
Average molar mass: 530.6 g/mol
Monoisotopic mass: 530.22055744

Names & identifiers

Preferred name: Benzoic acid, 4-(dimethylamino)-, 2,3-dihydro-2,3-fluoranthenediyl ester, (2S-trans)-
IUPAC: [(2S,3S)-3-[4-(dimethylamino)benzoyl]oxy-2,3-dihydrofluoranthen-2-yl] 4-(dimethylamino)benzoate

Names & synonyms

Benzoic acid, 4-(dimethylamino)-, 2,3-dihydro-2,3-fluoranthenediyl ester, (2S-trans)-143192-45-4DTXSID10162340(2S-trans)-2,3-Dihydro-2,3-fluoranthenediyl 4-(dimethylamino)benzoateRefChem:118439DTXCID7084831(2S,3S)-2,3-Dihydrofluoranthene-2,3-diyl bis[4-(dimethylamino)benzoate]

Database identifiers

CAS: 143192-45-4
PubChem CID: 178689
DTXSID: DTXSID10162340

Properties

Computed structural properties

XLogP: 6.4
Topological polar surface area: 59.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 40
Formal charge: 0
Complexity: 946

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