bis[[4-(1,3-benzothiazol-2-yl)-2,3-diethyl-phenyl]methoxy]-oxidanylidene-phosphanium

Systemtic Name: bis[[4-(1,3-benzothiazol-2-yl)-2,3-diethyl-phenyl]methoxy]-oxidanylidene-phosphanium Openeye Name: bis[[4-(1,3-benzothiazol-2-yl)-2,3-diethyl-phenyl]methoxy]-oxo-phosphonium CAS Name: bis[[4-(1,3-benzothiazol-2-yl)-2,3-diethylphenyl]methoxy]-oxophosphonium IUPAC Name: bis[[4-(1,3-benzothiazol-2-yl)-2,3-diethylphenyl]methoxy]-oxophosphanium Traditional Name: bis[[4-(1,3-benzothiazol-2-yl)-2,3-diethyl-benzyl]oxy]-keto-phosphonium Formula: C36H36N2O3PS2+ MolecularWeight: 639.786401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1CC)C2=NC3=CC=CC=C3S2)CO[P+](=O)OCC4=C(C(=C(C=C4)C5=NC6=CC=CC=C6S5)CC)CC

Isomeric SMILES

CCC1=C(C=CC(=C1CC)C2=NC3=CC=CC=C3S2)CO[P+](=O)OCC4=C(C(=C(C=C4)C5=NC6=CC=CC=C6S5)CC)CC

InChI

InChI=1S/C36H36N2O3PS2/c1-5-25-23(17-19-29(27(25)7-3)35-37-31-13-9-11-15-33(31)43-35)21-40-42(39)41-22-24-18-20-30(28(8-4)26(24)6-2)36-38-32-14-10-12-16-34(32)44-36/h9-20H,5-8,21-22H2,1-4H3/q+1