zinc (Z)-(6-azanylidene-3-sulfo-cyclohexa-2,4-dien-1-ylidene)-phenyl-methanolate trihydrate

Systemtic Name: zinc (Z)-(6-azanylidene-3-sulfo-cyclohexa-2,4-dien-1-ylidene)-phenyl-methanolate trihydrate Openeye Name: zinc (Z)-(6-imino-3-sulfo-cyclohexa-2,4-dien-1-ylidene)-phenyl-methanolate trihydrate CAS Name: zinc (Z)-(6-imino-3-sulfo-1-cyclohexa-2,4-dienylidene)-phenylmethanolate trihydrate IUPAC Name: zinc (Z)-(6-imino-3-sulfocyclohexa-2,4-dien-1-ylidene)-phenylmethanolate trihydrate Traditional Name: zinc (Z)-(6-imino-3-sulfo-cyclohexa-2,4-dien-1-ylidene)-phenyl-methanolate trihydrate Formula: C26H26N2O11S2Zn MolecularWeight: 672.03044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C=C(C=CC2=N)S(=O)(=O)O)[O-].C1=CC=C(C=C1)C(=C2C=C(C=CC2=N)S(=O)(=O)O)[O-].O.O.O.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\2/C(=N)C=CC(=C2)S(=O)(=O)O)/[O-].C1=CC=C(C=C1)/C(=C\2/C(=N)C=CC(=C2)S(=O)(=O)O)/[O-].O.O.O.[Zn+2]

InChI

InChI=1S/2C13H11NO4S.3H2O.Zn/c2*14-12-7-6-10(19(16,17)18)8-11(12)13(15)9-4-2-1-3-5-9;;;;/h2*1-8,14-15H,(H,16,17,18);3*1H2;/q;;;;;+2/p-2/b2*13-11-,14-12?;;;;