2-[3,6-bis(diethylamino)-1-oxidanyl-9H-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[3,6-bis(diethylamino)-1-oxidanyl-9H-xanthen-9-yl]benzoic acid Openeye Name: 2-[3,6-bis(diethylamino)-1-hydroxy-9H-xanthen-9-yl]benzoic acid CAS Name: 2-[3,6-bis(diethylamino)-1-hydroxy-9H-xanthen-9-yl]benzoic acid IUPAC Name: 2-[3,6-bis(diethylamino)-1-hydroxy-9H-xanthen-9-yl]benzoic acid Traditional Name: 2-[3,6-bis(diethylamino)-1-hydroxy-9H-xanthen-9-yl]benzoic acid Formula: C28H32N2O4 MolecularWeight: 460.56468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3O)N(CC)CC)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3O)N(CC)CC)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C28H32N2O4/c1-5-29(6-2)18-13-14-22-24(16-18)34-25-17-19(30(7-3)8-4)15-23(31)27(25)26(22)20-11-9-10-12-21(20)28(32)33/h9-17,26,31H,5-8H2,1-4H3,(H,32,33)