1-[4-[bis[4-(diethylamino)phenyl]methyl]phenoxy]propane-1-sulfonic acid

Systemtic Name: 1-[4-[bis[4-(diethylamino)phenyl]methyl]phenoxy]propane-1-sulfonic acid Openeye Name: 1-[4-[bis[4-(diethylamino)phenyl]methyl]phenoxy]propane-1-sulfonic acid CAS Name: 1-[4-[bis[4-(diethylamino)phenyl]methyl]phenoxy]-1-propanesulfonic acid IUPAC Name: 1-[4-[bis[4-(diethylamino)phenyl]methyl]phenoxy]propane-1-sulfonic acid Traditional Name: 1-[4-[bis[4-(diethylamino)phenyl]methyl]phenoxy]propane-1-sulfonic acid Formula: C30H40N2O4S MolecularWeight: 524.7146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC)S(=O)(=O)O

Isomeric SMILES

CCC(OC1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC)S(=O)(=O)O

InChI

InChI=1S/C30H40N2O4S/c1-6-29(37(33,34)35)36-28-21-15-25(16-22-28)30(23-11-17-26(18-12-23)31(7-2)8-3)24-13-19-27(20-14-24)32(9-4)10-5/h11-22,29-30H,6-10H2,1-5H3,(H,33,34,35)