3-[6-(3-hydroxyphenyl)-4-(1-methylindol-1-ium-3-ylidene)pyran-2-yl]phenol perchlorate

Systemtic Name: 3-[6-(3-hydroxyphenyl)-4-(1-methylindol-1-ium-3-ylidene)pyran-2-yl]phenol perchlorate Openeye Name: 3-[6-(3-hydroxyphenyl)-4-(1-methylindol-1-ium-3-ylidene)pyran-2-yl]phenol perchlorate CAS Name: 3-[6-(3-hydroxyphenyl)-4-(1-methyl-3-indol-1-iumylidene)-2-pyranyl]phenol perchlorate IUPAC Name: 3-[6-(3-hydroxyphenyl)-4-(1-methylindol-1-ium-3-ylidene)pyran-2-yl]phenol perchlorate Traditional Name: 3-[6-(3-hydroxyphenyl)-4-(1-methylindol-1-ium-3-ylidene)pyran-2-yl]phenol perchlorate Formula: C26H20ClNO7 MolecularWeight: 493.8925

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C2C=C(OC(=C2)C3=CC(=CC=C3)O)C4=CC(=CC=C4)O)C5=CC=CC=C51.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=CC(=C2C=C(OC(=C2)C3=CC(=CC=C3)O)C4=CC(=CC=C4)O)C5=CC=CC=C51.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C26H19NO3.ClHO4/c1-27-16-23(22-10-2-3-11-24(22)27)19-14-25(17-6-4-8-20(28)12-17)30-26(15-19)18-7-5-9-21(29)13-18;2-1(3,4)5/h2-16H,1H3,(H-,28,29);(H,2,3,4,5)