sodium 5-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]pentanoate

Systemtic Name: sodium 5-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]pentanoate Openeye Name: sodium 5-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]pentanoate CAS Name: sodium 5-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)-phenylmethyl]amino]pentanoate IUPAC Name: sodium 5-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]pentanoate Traditional Name: sodium 5-[[(Z)-(6-ketocyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]valerate Formula: C18H18NNaO3 MolecularWeight: 319.33019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C=CC=CC2=O)NCCCCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C/2\C=CC=CC2=O)/NCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C18H19NO3.Na/c20-16-11-5-4-10-15(16)18(14-8-2-1-3-9-14)19-13-7-6-12-17(21)22;/h1-5,8-11,19H,6-7,12-13H2,(H,21,22);/q;+1/p-1/b18-15-;