cyclododecyl-[2-(4-methoxyphenyl)-6-oxidanyl-chromen-4-ylidene]azanium perchlorate

Systemtic Name: cyclododecyl-[2-(4-methoxyphenyl)-6-oxidanyl-chromen-4-ylidene]azanium perchlorate Openeye Name: cyclododecyl-[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]ammonium perchlorate CAS Name: cyclododecyl-[6-hydroxy-2-(4-methoxyphenyl)-1-benzopyran-4-ylidene]ammonium perchlorate IUPAC Name: cyclododecyl-[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]azanium perchlorate Traditional Name: cyclododecyl-[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]ammonium perchlorate Formula: C28H36ClNO7 MolecularWeight: 534.04094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=[NH+]C3CCCCCCCCCCC3)C4=C(O2)C=CC(=C4)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=[NH+]C3CCCCCCCCCCC3)C4=C(O2)C=CC(=C4)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C28H35NO3.ClHO4/c1-31-24-16-13-21(14-17-24)28-20-26(25-19-23(30)15-18-27(25)32-28)29-22-11-9-7-5-3-2-4-6-8-10-12-22;2-1(3,4)5/h13-20,22,30H,2-12H2,1H3;(H,2,3,4,5)