2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-5-(dipropylsulfamoyl)benzenesulfonic acid

Systemtic Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-5-(dipropylsulfamoyl)benzenesulfonic acid Openeye Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-5-(dipropylsulfamoyl)benzenesulfonic acid CAS Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-5-(dipropylsulfamoyl)benzenesulfonic acid IUPAC Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-5-(dipropylsulfamoyl)benzenesulfonic acid Traditional Name: 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-5-(dipropylsulfamoyl)besylic acid Formula: C33H45N3O6S2 MolecularWeight: 643.8569

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC(=C(C=C1)C2C3=C(C=C(C=C3)N(CC)CC)OC4=C2C=CC(=C4)N(CC)CC)S(=O)(=O)O

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC(=C(C=C1)C2C3=C(C=C(C=C3)N(CC)CC)OC4=C2C=CC(=C4)N(CC)CC)S(=O)(=O)O

InChI

InChI=1S/C33H45N3O6S2/c1-7-19-36(20-8-2)43(37,38)26-15-18-29(32(23-26)44(39,40)41)33-27-16-13-24(34(9-3)10-4)21-30(27)42-31-22-25(14-17-28(31)33)35(11-5)12-6/h13-18,21-23,33H,7-12,19-20H2,1-6H3,(H,39,40,41)