4-methoxy-3-[[8-(2-sulfophenyl)xanthen-1-ylidene]amino]benzenesulfonic acid

Systemtic Name: 4-methoxy-3-[[8-(2-sulfophenyl)xanthen-1-ylidene]amino]benzenesulfonic acid Openeye Name: 4-methoxy-3-[[8-(2-sulfophenyl)xanthen-1-ylidene]amino]benzenesulfonic acid CAS Name: 4-methoxy-3-[[8-(2-sulfophenyl)-1-xanthenylidene]amino]benzenesulfonic acid IUPAC Name: 4-methoxy-3-[[8-(2-sulfophenyl)xanthen-1-ylidene]amino]benzenesulfonic acid Traditional Name: 4-methoxy-3-[[8-(2-sulfophenyl)xanthen-1-ylidene]amino]besylic acid Formula: C26H19NO8S2 MolecularWeight: 537.56096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)O)N=C2C=CC=C3C2=CC4=C(C=CC=C4O3)C5=CC=CC=C5S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)O)N=C2C=CC=C3C2=CC4=C(C=CC=C4O3)C5=CC=CC=C5S(=O)(=O)O

InChI

InChI=1S/C26H19NO8S2/c1-34-25-13-12-16(36(28,29)30)14-22(25)27-21-8-5-10-24-20(21)15-19-17(7-4-9-23(19)35-24)18-6-2-3-11-26(18)37(31,32)33/h2-15H,1H3,(H,28,29,30)(H,31,32,33)