2-[(6E)-3-(1,3-thiazol-2-ylamino)-6-(1,3-thiazol-2-ylazaniumylidene)xanthen-9-yl]benzenesulfonate

Systemtic Name: 2-[(6E)-3-(1,3-thiazol-2-ylamino)-6-(1,3-thiazol-2-ylazaniumylidene)xanthen-9-yl]benzenesulfonate Openeye Name: 2-[(6E)-3-(thiazol-2-ylamino)-6-thiazol-2-yliminio-xanthen-9-yl]benzenesulfonate CAS Name: 2-[(6E)-3-(2-thiazolylamino)-6-(2-thiazolyliminio)-9-xanthenyl]benzenesulfonate IUPAC Name: 2-[(6E)-3-(1,3-thiazol-2-ylamino)-6-(1,3-thiazol-2-ylazaniumylidene)xanthen-9-yl]benzenesulfonate Traditional Name: 2-[(6E)-3-(thiazol-2-ylamino)-6-thiazol-2-yliminio-xanthen-9-yl]besylate Formula: C25H16N4O4S3 MolecularWeight: 532.61394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=[NH+]C4=NC=CS4)C=C3OC5=C2C=CC(=C5)NC6=NC=CS6)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C/C(=[NH+]\C4=NC=CS4)/C=C3OC5=C2C=CC(=C5)NC6=NC=CS6)S(=O)(=O)[O-]

InChI

InChI=1S/C25H16N4O4S3/c30-36(31,32)22-4-2-1-3-19(22)23-17-7-5-15(28-24-26-9-11-34-24)13-20(17)33-21-14-16(6-8-18(21)23)29-25-27-10-12-35-25/h1-14H,(H,26,28)(H,30,31,32)/b29-16+