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

Systemtic Name: 2-[3,6-bis[(2-chlorophenyl)-methyl-amino]-9H-xanthen-9-yl]benzenesulfonic acid Openeye Name: 2-[3,6-bis(2-chloro-N-methyl-anilino)-9H-xanthen-9-yl]benzenesulfonic acid CAS Name: 2-[3,6-bis(2-chloro-N-methylanilino)-9H-xanthen-9-yl]benzenesulfonic acid IUPAC Name: 2-[3,6-bis(2-chloro-N-methylanilino)-9H-xanthen-9-yl]benzenesulfonic acid Traditional Name: 2-[3,6-bis(2-chloro-N-methyl-anilino)-9H-xanthen-9-yl]besylic acid Formula: C33H26Cl2N2O4S MolecularWeight: 617.54154

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(C)C4=CC=CC=C4Cl)C5=CC=CC=C5S(=O)(=O)O)C6=CC=CC=C6Cl

Isomeric SMILES

CN(C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(C)C4=CC=CC=C4Cl)C5=CC=CC=C5S(=O)(=O)O)C6=CC=CC=C6Cl

InChI

InChI=1S/C33H26Cl2N2O4S/c1-36(28-12-6-4-10-26(28)34)21-15-17-23-30(19-21)41-31-20-22(37(2)29-13-7-5-11-27(29)35)16-18-24(31)33(23)25-9-3-8-14-32(25)42(38,39)40/h3-20,33H,1-2H3,(H,38,39,40)