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

Systemtic Name: 3-methoxy-7-octadecyl-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Openeye Name: 3-methoxy-7-octadecyl-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate CAS Name: 3-methoxy-7-octadecyl-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate IUPAC Name: 3-methoxy-7-octadecyl-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Traditional Name: 3-methoxy-7-stearyl-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Formula: C36H51ClO6 MolecularWeight: 615.23954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C2CCC3=C(C2=[O+]C4=CC=CC=C41)C=CC(=C3)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C2CCC3=C(C2=[O+]C4=CC=CC=C41)C=CC(=C3)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C36H51O2.ClHO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-32-33-22-19-20-23-35(33)38-36-31-27-25-30(37-2)28-29(31)24-26-34(32)36;2-1(3,4)5/h19-20,22-23,25,27-28H,3-18,21,24,26H2,1-2H3;(H,2,3,4,5)/q+1;/p-1