4-tert-butylbenzoic acid; 1-isocyanato-4-methyl-benzene

Systemtic Name: 4-tert-butylbenzoic acid; 1-isocyanato-4-methyl-benzene Openeye Name: 4-tert-butylbenzoic acid; 1-isocyanato-4-methyl-benzene CAS Name: 4-tert-butylbenzoic acid; 1-isocyanato-4-methylbenzene IUPAC Name: 4-tert-butylbenzoic acid; 1-isocyanato-4-methylbenzene Traditional Name: 4-tert-butylbenzoic acid; 1-isocyanato-4-methyl-benzene Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C=O.CC(C)(C)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N=C=O.CC(C)(C)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H14O2.C8H7NO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-7-2-4-8(5-3-7)9-6-10/h4-7H,1-3H3,(H,12,13);2-5H,1H3