sodium 2-[(6E)-3-phenylazanyl-6-[(4-sulfophenyl)methylidene]xanthen-9-yl]benzoate

Systemtic Name: sodium 2-[(6E)-3-phenylazanyl-6-[(4-sulfophenyl)methylidene]xanthen-9-yl]benzoate Openeye Name: sodium 2-[(6E)-3-anilino-6-[(4-sulfophenyl)methylene]xanthen-9-yl]benzoate CAS Name: sodium 2-[(6E)-3-anilino-6-[(4-sulfophenyl)methylidene]-9-xanthenyl]benzoate IUPAC Name: sodium 2-[(6E)-3-anilino-6-[(4-sulfophenyl)methylidene]xanthen-9-yl]benzoate Traditional Name: sodium 2-[(6E)-3-anilino-6-(4-sulfobenzylidene)xanthen-9-yl]benzoate Formula: C33H22NNaO6S MolecularWeight: 583.58565

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=C4C=CC(=CC5=CC=C(C=C5)S(=O)(=O)O)C=C4O3)C6=CC=CC=C6C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=C4C=C/C(=C\C5=CC=C(C=C5)S(=O)(=O)O)/C=C4O3)C6=CC=CC=C6C(=O)[O-].[Na+]

InChI

InChI=1S/C33H23NO6S.Na/c35-33(36)27-9-5-4-8-26(27)32-28-16-12-22(18-21-10-14-25(15-11-21)41(37,38)39)19-30(28)40-31-20-24(13-17-29(31)32)34-23-6-2-1-3-7-23;/h1-20,34H,(H,35,36)(H,37,38,39);/q;+1/p-1/b22-18+;