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

Systemtic Name: 4-(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)-2,3,6-triphenyl-pyrylium perchlorate Openeye Name: 4-(5-isopropyl-3,8-dimethyl-azulen-1-yl)-2,3,6-triphenyl-pyrylium perchlorate CAS Name: 4-(3,8-dimethyl-5-propan-2-yl-1-azulenyl)-2,3,6-triphenylpyrylium perchlorate IUPAC Name: 4-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2,3,6-triphenylpyrylium perchlorate Traditional Name: 4-(5-isopropyl-3,8-dimethyl-azulen-1-yl)-2,3,6-triphenyl-pyrylium perchlorate Formula: C38H33ClO5 MolecularWeight: 605.11862

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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(=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)C3=CC(=[O+]C(=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C38H33O.ClHO4/c1-25(2)31-21-20-26(3)36-32(23-31)27(4)22-33(36)34-24-35(28-14-8-5-9-15-28)39-38(30-18-12-7-13-19-30)37(34)29-16-10-6-11-17-29;2-1(3,4)5/h5-25H,1-4H3;(H,2,3,4,5)/q+1;/p-1