2-[3,6-bis[methyl(phenyl)amino]-9H-xanthen-9-yl]benzenesulfonic acid

Systemtic Name: 2-[3,6-bis[methyl(phenyl)amino]-9H-xanthen-9-yl]benzenesulfonic acid Openeye Name: 2-[3,6-bis(N-methylanilino)-9H-xanthen-9-yl]benzenesulfonic acid CAS Name: 2-[3,6-bis(N-methylanilino)-9H-xanthen-9-yl]benzenesulfonic acid IUPAC Name: 2-[3,6-bis(N-methylanilino)-9H-xanthen-9-yl]benzenesulfonic acid Traditional Name: 2-[3,6-bis(N-methylanilino)-9H-xanthen-9-yl]besylic acid Formula: C33H28N2O4S MolecularWeight: 548.65142

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=CC3=C(C=C2)C(C4=C(O3)C=C(C=C4)N(C)C5=CC=CC=C5)C6=CC=CC=C6S(=O)(=O)O

Isomeric SMILES

CN(C1=CC=CC=C1)C2=CC3=C(C=C2)C(C4=C(O3)C=C(C=C4)N(C)C5=CC=CC=C5)C6=CC=CC=C6S(=O)(=O)O

InChI

InChI=1S/C33H28N2O4S/c1-34(23-11-5-3-6-12-23)25-17-19-27-30(21-25)39-31-22-26(35(2)24-13-7-4-8-14-24)18-20-28(31)33(27)29-15-9-10-16-32(29)40(36,37)38/h3-22,33H,1-2H3,(H,36,37,38)