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

Systemtic Name: 7-dodecyl-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Openeye Name: 7-dodecyl-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate CAS Name: 7-dodecyl-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate IUPAC Name: 7-dodecyl-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Traditional Name: 7-lauryl-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium perchlorate Formula: C30H39ClO6 MolecularWeight: 531.08006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C2CCC3=C(C2=[O+]C4=CC=CC=C41)C=CC(=C3)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCC1=C2CCC3=C(C2=[O+]C4=CC=CC=C41)C=CC(=C3)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C30H39O2.ClHO4/c1-3-4-5-6-7-8-9-10-11-12-15-26-27-16-13-14-17-29(27)32-30-25-21-19-24(31-2)22-23(25)18-20-28(26)30;2-1(3,4)5/h13-14,16-17,19,21-22H,3-12,15,18,20H2,1-2H3;(H,2,3,4,5)/q+1;/p-1