tris[3-methyl-4-(2-methyl-4-oxidanyl-phenyl)sulfanyl-phenyl] phosphate

Systemtic Name: tris[3-methyl-4-(2-methyl-4-oxidanyl-phenyl)sulfanyl-phenyl] phosphate Openeye Name: tris[4-(4-hydroxy-2-methyl-phenyl)sulfanyl-3-methyl-phenyl] phosphate CAS Name: phosphoric acid tris[4-[(4-hydroxy-2-methylphenyl)thio]-3-methylphenyl] ester IUPAC Name: tris[4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenyl] phosphate Traditional Name: phosphoric acid tris[4-[(4-hydroxy-2-methyl-phenyl)thio]-3-methyl-phenyl] ester Formula: C42H39O7PS3 MolecularWeight: 782.923621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)SC2=C(C=C(C=C2)OP(=O)(OC3=CC(=C(C=C3)SC4=C(C=C(C=C4)O)C)C)OC5=CC(=C(C=C5)SC6=C(C=C(C=C6)O)C)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)O)SC2=C(C=C(C=C2)OP(=O)(OC3=CC(=C(C=C3)SC4=C(C=C(C=C4)O)C)C)OC5=CC(=C(C=C5)SC6=C(C=C(C=C6)O)C)C)C

InChI

InChI=1S/C42H39O7PS3/c1-25-19-31(43)7-13-37(25)51-40-16-10-34(22-28(40)4)47-50(46,48-35-11-17-41(29(5)23-35)52-38-14-8-32(44)20-26(38)2)49-36-12-18-42(30(6)24-36)53-39-15-9-33(45)21-27(39)3/h7-24,43-45H,1-6H3