4-(4-tert-butylphenyl)-2-phenyl-5,6,7,8-tetrahydrochromen-1-ium perchlorate

Systemtic Name: 4-(4-tert-butylphenyl)-2-phenyl-5,6,7,8-tetrahydrochromen-1-ium perchlorate Openeye Name: 4-(4-tert-butylphenyl)-2-phenyl-5,6,7,8-tetrahydrochromen-1-ium perchlorate CAS Name: 4-(4-tert-butylphenyl)-2-phenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium perchlorate IUPAC Name: 4-(4-tert-butylphenyl)-2-phenyl-5,6,7,8-tetrahydrochromen-1-ium perchlorate Traditional Name: 4-(4-tert-butylphenyl)-2-phenyl-5,6,7,8-tetrahydrochromen-1-ium perchlorate Formula: C25H27ClO5 MolecularWeight: 442.93188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=[O+]C3=C2CCCC3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=[O+]C3=C2CCCC3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H27O.ClHO4/c1-25(2,3)20-15-13-18(14-16-20)22-17-24(19-9-5-4-6-10-19)26-23-12-8-7-11-21(22)23;2-1(3,4)5/h4-6,9-10,13-17H,7-8,11-12H2,1-3H3;(H,2,3,4,5)/q+1;/p-1