ditridecyl hydrogen phosphite; oxidanylidenetitanium; 3-prop-2-enoyloxypentan-3-yl prop-2-enoate; dihydrate

Systemtic Name: ditridecyl hydrogen phosphite; oxidanylidenetitanium; 3-prop-2-enoyloxypentan-3-yl prop-2-enoate; dihydrate Openeye Name: ditridecyl hydrogen phosphite; (1-ethyl-1-prop-2-enoyloxy-propyl) prop-2-enoate; oxotitanium; dihydrate CAS Name: ditridecyl hydrogen phosphite; oxotitanium; 2-propenoic acid 3-(1-oxoprop-2-enoxy)pentan-3-yl ester; dihydrate IUPAC Name: ditridecyl hydrogen phosphite; oxotitanium; 3-prop-2-enoyloxypentan-3-yl prop-2-enoate; dihydrate Traditional Name: acrylic acid (1-acryloyloxy-1-ethyl-propyl) ester; ditridecyl hydrogen phosphite; ketotitanium; dihydrate Formula: C96H174O25P2Ti-4 MolecularWeight: 1838.208282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOP(O)OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP(O)OCCCCCCCCCCCCC.CCC([CH-]C)(OC(=O)C=C)OC(=O)C=C.CCC([CH-]C)(OC(=O)C=C)OC(=O)C=C.CCC([CH-]C)(OC(=O)C=C)OC(=O)C=C.CCC([CH-]C)(OC(=O)C=C)OC(=O)C=C.O.O.O=[Ti]

Isomeric SMILES

CCCCCCCCCCCCCOP(O)OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP(O)OCCCCCCCCCCCCC.CCC([CH-]C)(OC(=O)C=C)OC(=O)C=C.CCC([CH-]C)(OC(=O)C=C)OC(=O)C=C.CCC([CH-]C)(OC(=O)C=C)OC(=O)C=C.CCC([CH-]C)(OC(=O)C=C)OC(=O)C=C.O.O.O=[Ti]

InChI

InChI=1S/2C26H55O3P.4C11H15O4.2H2O.O.Ti/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2;4*1-5-9(12)14-11(7-3,8-4)15-10(13)6-2;;;;/h2*27H,3-26H2,1-2H3;4*5-7H,1-2,8H2,3-4H3;2*1H2;;/q;;4*-1;;;;