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

Systemtic Name: sodium 6-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]hexanoate Openeye Name: sodium 6-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]hexanoate CAS Name: sodium 6-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)-phenylmethyl]amino]hexanoate IUPAC Name: sodium 6-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]hexanoate Traditional Name: sodium 6-[[(Z)-(6-ketocyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]hexanoate Formula: C19H20NNaO3 MolecularWeight: 333.35677

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3.Na/c21-17-12-7-6-11-16(17)19(15-9-3-1-4-10-15)20-14-8-2-5-13-18(22)23;/h1,3-4,6-7,9-12,20H,2,5,8,13-14H2,(H,22,23);/q;+1/p-1/b19-16-;