sodium 8-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]octanoate

Systemtic Name: sodium 8-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]octanoate Openeye Name: sodium 8-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]octanoate CAS Name: sodium 8-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)-phenylmethyl]amino]octanoate IUPAC Name: sodium 8-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]octanoate Traditional Name: sodium 8-[[(Z)-(6-ketocyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]caprylate Formula: C21H24NNaO3 MolecularWeight: 361.40993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3.Na/c23-19-14-9-8-13-18(19)21(17-11-5-4-6-12-17)22-16-10-3-1-2-7-15-20(24)25;/h4-6,8-9,11-14,22H,1-3,7,10,15-16H2,(H,24,25);/q;+1/p-1/b21-18-;