Dibenzo(c,h)xanthylium, 5,6,8,9-tetrahydro-, perchlorate

HCID 201688

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Basic information

CAS: 6581-93-7
Standard SMILES: [O-][Cl+3]([O-])([O-])[O-].c1ccc2c(c1)CCc1cc3c([o+]c1-2)-c1ccccc1CC3
InChIKey: DSDGMNTVKNEPIW-UHFFFAOYSA-M
Molecular formula: C21H17ClO5
Average molar mass: 384.8 g/mol
Monoisotopic mass: 384.0764513

Names & identifiers

Preferred name: Dibenzo(c,h)xanthylium, 5,6,8,9-tetrahydro-, perchlorate
IUPAC: 2-oxoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,17,19,21-nonaene perchlorate

Names & synonyms

Dibenzo(c,h)xanthylium, 5,6,8,9-tetrahydro-, perchlorate5,6,8,9-Tetrahydrodibenzo(c,h)xanthylium perchlorate6581-93-7DTXSID00216003RefChem:337217DTXCID601384945,6,8,9-Tetrahydrodibenzo[c,h]xanthen-14-ium perchlorate

Database identifiers

CAS: 6581-93-7
PubChem CID: 201688
DTXSID: DTXSID00216003

Properties

Computed structural properties

Topological polar surface area: 75.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 27
Formal charge: 0
Complexity: 465

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