(E)-3-(1-carboxycycloheptadecyl)-2-methyl-prop-2-enoate; cycloheptadecane

Systemtic Name: (E)-3-(1-carboxycycloheptadecyl)-2-methyl-prop-2-enoate; cycloheptadecane Openeye Name: (E)-3-(1-carboxycycloheptadecyl)-2-methyl-prop-2-enoate; cycloheptadecane CAS Name: (E)-3-(1-carboxycycloheptadecyl)-2-methyl-2-propenoate; cycloheptadecane IUPAC Name: (E)-3-(1-carboxycycloheptadecyl)-2-methylprop-2-enoate; cycloheptadecane Traditional Name: (E)-3-(1-carboxycycloheptadecyl)-2-methyl-acrylate; cycloheptadecane Formula: C107H207O4- MolecularWeight: 1557.78608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1(CCCCCCCCCCCCCCCC1)C(=O)O)C(=O)[O-].C1CCCCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCCCC1

Isomeric SMILES

C/C(=C\C1(CCCCCCCCCCCCCCCC1)C(=O)O)/C(=O)[O-].C1CCCCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCCCC1

InChI

InChI=1S/C22H38O4.5C17H34/c1-19(20(23)24)18-22(21(25)26)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-22;5*1-2-4-6-8-10-12-14-16-17-15-13-11-9-7-5-3-1/h18H,2-17H2,1H3,(H,23,24)(H,25,26);5*1-17H2/p-1/b19-18+;;;;;