16-methylheptadecan-1-one; oxidanylidenetitanium; propane; prop-2-enoic acid

Systemtic Name: 16-methylheptadecan-1-one; oxidanylidenetitanium; propane; prop-2-enoic acid Openeye Name: acrylic acid; 16-methylheptadecan-1-one; oxotitanium; propane CAS Name: 16-methyl-1-heptadecanone; oxotitanium; propane; 2-propenoic acid IUPAC Name: 16-methylheptadecan-1-one; oxotitanium; propane; prop-2-enoic acid Traditional Name: acrylic acid; ketotitanium; 16-methylheptadecan-1-one; propane Formula: C45H85O7Ti-3 MolecularWeight: 786.0192

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]C.CC(C)CCCCCCCCCCCCCC[C-]=O.CC(C)CCCCCCCCCCCCCC[C-]=O.C=CC(=O)O.C=CC(=O)O.O=[Ti]

Isomeric SMILES

C[CH-]C.CC(C)CCCCCCCCCCCCCC[C-]=O.CC(C)CCCCCCCCCCCCCC[C-]=O.C=CC(=O)O.C=CC(=O)O.O=[Ti]

InChI

InChI=1S/2C18H35O.2C3H4O2.C3H7.O.Ti/c2*1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19;2*1-2-3(4)5;1-3-2;;/h2*18H,3-16H2,1-2H3;2*2H,1H2,(H,4,5);3H,1-2H3;;/q2*-1;;;-1;;