[(E)-1-cyclohexa-2,5-dien-1-ylidene-3-(5-oxidanyl-2,4-disulfo-phenyl)prop-2-enyl]-ethyl-azanium hydroxide

Systemtic Name: [(E)-1-cyclohexa-2,5-dien-1-ylidene-3-(5-oxidanyl-2,4-disulfo-phenyl)prop-2-enyl]-ethyl-azanium hydroxide Openeye Name: [(E)-1-cyclohexa-2,5-dien-1-ylidene-3-(5-hydroxy-2,4-disulfo-phenyl)allyl]-ethyl-ammonium hydroxide CAS Name: [(E)-1-(1-cyclohexa-2,5-dienylidene)-3-(5-hydroxy-2,4-disulfophenyl)prop-2-enyl]-ethylammonium hydroxide IUPAC Name: [(E)-1-cyclohexa-2,5-dien-1-ylidene-3-(5-hydroxy-2,4-disulfophenyl)prop-2-enyl]-ethylazanium hydroxide Traditional Name: [(E)-1-cyclohexa-2,5-dien-1-ylidene-3-(5-hydroxy-2,4-disulfo-phenyl)allyl]-ethyl-ammonium hydroxide Formula: C17H21NO8S2 MolecularWeight: 431.48054

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]C(=C1C=CCC=C1)C=CC2=CC(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)O.[OH-]

Isomeric SMILES

CC[NH2+]C(=C1C=CCC=C1)/C=C/C2=CC(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)O.[OH-]

InChI

InChI=1S/C17H19NO7S2.H2O/c1-2-18-14(12-6-4-3-5-7-12)9-8-13-10-15(19)17(27(23,24)25)11-16(13)26(20,21)22;/h4-11,18-19H,2-3H2,1H3,(H,20,21,22)(H,23,24,25);1H2/b9-8+;