11-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]azaniumylundecanoate

Systemtic Name: 11-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]azaniumylundecanoate Openeye Name: 11-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]ammonioundecanoate CAS Name: 11-[[2-(4-methoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]ammonio]undecanoate IUPAC Name: 11-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azaniumylundecanoate Traditional Name: 11-[2-(4-methoxyphenyl)-6-methyl-chromen-4-ylidene]ammonioundecanoate Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=[NH+]CCCCCCCCCCC(=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=[NH+]CCCCCCCCCCC(=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C28H35NO4/c1-21-12-17-26-24(19-21)25(20-27(33-26)22-13-15-23(32-2)16-14-22)29-18-10-8-6-4-3-5-7-9-11-28(30)31/h12-17,19-20H,3-11,18H2,1-2H3,(H,30,31)