[dodecanoyloxy(oxidanyl)phosphanyl] dodecanoate; oxidanylidenetitanium; propane; dihydrate

Systemtic Name: [dodecanoyloxy(oxidanyl)phosphanyl] dodecanoate; oxidanylidenetitanium; propane; dihydrate Openeye Name: [dodecanoyloxy(hydroxy)phosphanyl] dodecanoate; oxotitanium; propane; dihydrate CAS Name: dodecanoic acid [hydroxy(1-oxododecoxy)phosphino] ester; oxotitanium; propane; dihydrate IUPAC Name: [dodecanoyloxy(hydroxy)phosphanyl] dodecanoate; oxotitanium; propane; dihydrate Traditional Name: ketotitanium; lauric acid [hydroxy(lauroyloxy)phosphino] ester; propane; dihydrate Formula: C60H126O13P2Ti-4 MolecularWeight: 1165.449162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OP(O)OC(=O)CCCCCCCCCCC.CCCCCCCCCCCC(=O)OP(O)OC(=O)CCCCCCCCCCC.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.O.O.O=[Ti]

Isomeric SMILES

CCCCCCCCCCCC(=O)OP(O)OC(=O)CCCCCCCCCCC.CCCCCCCCCCCC(=O)OP(O)OC(=O)CCCCCCCCCCC.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.O.O.O=[Ti]

InChI

InChI=1S/2C24H47O5P.4C3H7.2H2O.O.Ti/c2*1-3-5-7-9-11-13-15-17-19-21-23(25)28-30(27)29-24(26)22-20-18-16-14-12-10-8-6-4-2;4*1-3-2;;;;/h2*27H,3-22H2,1-2H3;4*3H,1-2H3;2*1H2;;/q;;4*-1;;;;