7-docosyl-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate

Systemtic Name: 7-docosyl-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Openeye Name: 7-docosyl-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate CAS Name: 7-docosyl-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate IUPAC Name: 7-docosyl-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Traditional Name: 7-behenyl-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Formula: C40H59ClO6 MolecularWeight: 671.34586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC1=C2CCC3=C(C2=[O+]C4=CC=CC=C41)C=CC(=C3)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC1=C2CCC3=C(C2=[O+]C4=CC=CC=C41)C=CC(=C3)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C40H59O2.ClHO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-36-37-26-23-24-27-39(37)42-40-35-31-29-34(41-2)32-33(35)28-30-38(36)40;2-1(3,4)5/h23-24,26-27,29,31-32H,3-22,25,28,30H2,1-2H3;(H,2,3,4,5)/q+1;/p-1