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9-docosylxanthen-10-ium perchlorate

9-docosylxanthen-10-ium perchlorate

Systemtic Name:9-docosylxanthen-10-ium perchlorate
Openeye Name:9-docosylxanthen-10-ium perchlorate
CAS Name:9-docosylxanthen-10-ium perchlorate
IUPAC Name:9-docosylxanthen-10-ium perchlorate
Traditional Name:9-behenylxanthen-10-ium perchlorate
Formula: C35H53ClO5
MolecularWeight: 589.24532
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC1=C2C=CC=CC2=[O+]C3=CC=CC=C31.[O-]Cl(=O)(=O)=O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC1=C2C=CC=CC2=[O+]C3=CC=CC=C31.[O-]Cl(=O)(=O)=O


InChI

InChI=1S/C35H53O.ClHO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-31-32-27-22-24-29-34(32)36-35-30-25-23-28-33(31)35;2-1(3,4)5/h22-25,27-30H,2-21,26H2,1H3;(H,2,3,4,5)/q+1;/p-1


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