potassium (Z)-[5-dodecoxy-1,3-bis(oxidanylidene)inden-2-ylidene]methanolate

Systemtic Name: potassium (Z)-[5-dodecoxy-1,3-bis(oxidanylidene)inden-2-ylidene]methanolate Openeye Name: potassium (Z)-(5-dodecoxy-1,3-dioxo-indan-2-ylidene)methanolate CAS Name: potassium (Z)-(5-dodecoxy-1,3-dioxo-2-indenylidene)methanolate IUPAC Name: potassium (Z)-(5-dodecoxy-1,3-dioxoinden-2-ylidene)methanolate Traditional Name: potassium (Z)-(1,3-diketo-5-lauryloxy-indan-2-ylidene)methanolate Formula: C22H29KO4 MolecularWeight: 396.56156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC2=C(C=C1)C(=O)C(=C[O-])C2=O.[K+]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC2=C(C=C1)C(=O)/C(=C/[O-])/C2=O.[K+]

InChI

InChI=1S/C22H30O4.K/c1-2-3-4-5-6-7-8-9-10-11-14-26-17-12-13-18-19(15-17)22(25)20(16-23)21(18)24;/h12-13,15-16,23H,2-11,14H2,1H3;/q;+1/p-1/b20-16-;