4-(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)-3-methyl-2,6-diphenyl-pyrylium perchlorate

Systemtic Name: 4-(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)-3-methyl-2,6-diphenyl-pyrylium perchlorate Openeye Name: 4-(5-isopropyl-3,8-dimethyl-azulen-1-yl)-3-methyl-2,6-diphenyl-pyrylium perchlorate CAS Name: 4-(3,8-dimethyl-5-propan-2-yl-1-azulenyl)-3-methyl-2,6-diphenylpyrylium perchlorate IUPAC Name: 4-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-3-methyl-2,6-diphenylpyrylium perchlorate Traditional Name: 4-(5-isopropyl-3,8-dimethyl-azulen-1-yl)-3-methyl-2,6-diphenyl-pyrylium perchlorate Formula: C33H31ClO5 MolecularWeight: 543.04924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)C3=CC(=[O+]C(=C3C)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)C3=CC(=[O+]C(=C3C)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C33H31O.ClHO4/c1-21(2)27-17-16-22(3)32-28(19-27)23(4)18-30(32)29-20-31(25-12-8-6-9-13-25)34-33(24(29)5)26-14-10-7-11-15-26;2-1(3,4)5/h6-21H,1-5H3;(H,2,3,4,5)/q+1;/p-1