[2-(4-butoxyphenyl)-6-methyl-chromen-4-ylidene]-(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)azanium perchlorate

Systemtic Name: [2-(4-butoxyphenyl)-6-methyl-chromen-4-ylidene]-(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)azanium perchlorate Openeye Name: [2-(4-butoxyphenyl)-6-methyl-chromen-4-ylidene]-(1-carboxy-2-methyl-propyl)ammonium perchlorate CAS Name: [2-(4-butoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]-(1-hydroxy-3-methyl-1-oxobutan-2-yl)ammonium perchlorate IUPAC Name: [2-(4-butoxyphenyl)-6-methylchromen-4-ylidene]-(1-hydroxy-3-methyl-1-oxobutan-2-yl)azanium perchlorate Traditional Name: [2-(4-butoxyphenyl)-6-methyl-chromen-4-ylidene]-(1-carboxy-2-methyl-propyl)ammonium perchlorate Formula: C25H30ClNO8 MolecularWeight: 507.9606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC(=[NH+]C(C(C)C)C(=O)O)C3=C(O2)C=CC(=C3)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC(=[NH+]C(C(C)C)C(=O)O)C3=C(O2)C=CC(=C3)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H29NO4.ClHO4/c1-5-6-13-29-19-10-8-18(9-11-19)23-15-21(26-24(16(2)3)25(27)28)20-14-17(4)7-12-22(20)30-23;2-1(3,4)5/h7-12,14-16,24H,5-6,13H2,1-4H3,(H,27,28);(H,2,3,4,5)