bis(1-adamantyloxy)-sulfanyl-sulfanylidene-$l^{5}-phosphane; 2-(3,4-dimethoxyphenyl)ethanamine

Systemtic Name: bis(1-adamantyloxy)-sulfanyl-sulfanylidene-$l^{5}-phosphane; 2-(3,4-dimethoxyphenyl)ethanamine Openeye Name: bis(1-adamantyloxy)-sulfanyl-thioxo-$l^{5}-phosphane; 2-(3,4-dimethoxyphenyl)ethanamine CAS Name: bis(1-adamantyloxy)-mercapto-sulfanylidenephosphorane; 2-(3,4-dimethoxyphenyl)ethanamine IUPAC Name: bis(1-adamantyloxy)-sulfanyl-sulfanylidene-$l^{5}-phosphane; 2-(3,4-dimethoxyphenyl)ethanamine Traditional Name: bis(1-adamantyloxy)-mercapto-thioxo-phosphorane; homoveratrylamine Formula: C30H46NO4PS2 MolecularWeight: 579.794301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN)OC.C1C2CC3CC1CC(C2)(C3)OP(=S)(OC45CC6CC(C4)CC(C6)C5)S

Isomeric SMILES

COC1=C(C=C(C=C1)CCN)OC.C1C2CC3CC1CC(C2)(C3)OP(=S)(OC45CC6CC(C4)CC(C6)C5)S

InChI

InChI=1S/C20H31O2PS2.C10H15NO2/c24-23(25,21-19-7-13-1-14(8-19)3-15(2-13)9-19)22-20-10-16-4-17(11-20)6-18(5-16)12-20;1-12-9-4-3-8(5-6-11)7-10(9)13-2/h13-18H,1-12H2,(H,24,25);3-4,7H,5-6,11H2,1-2H3