16-methylheptadecanoic acid; propan-2-ol; prop-2-enoic acid; titanium

Systemtic Name: 16-methylheptadecanoic acid; propan-2-ol; prop-2-enoic acid; titanium Openeye Name: acrylic acid; 16-methylheptadecanoic acid; propan-2-ol; titanium CAS Name: 16-methylheptadecanoic acid; 2-propanol; 2-propenoic acid; titanium IUPAC Name: 16-methylheptadecanoic acid; propan-2-ol; prop-2-enoic acid; titanium Traditional Name: acrylic acid; 16-methylheptadecanoic acid; propan-2-ol; titanium Formula: C42H84O7Ti MolecularWeight: 748.97916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)O.C=CC(=O)O.[Ti]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)O.C=CC(=O)O.[Ti]

InChI

InChI=1S/2C18H36O2.C3H4O2.C3H8O.Ti/c2*1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-2-3(4)5;1-3(2)4;/h2*17H,3-16H2,1-2H3,(H,19,20);2H,1H2,(H,4,5);3-4H,1-2H3;