3-tert-butylbenzo[b][1]benzoxepine-5-carboxylic acid

Systemtic Name: 3-tert-butylbenzo[b][1]benzoxepine-5-carboxylic acid Openeye Name: 3-tert-butylbenzo[b][1]benzoxepine-5-carboxylic acid CAS Name: 3-tert-butyl-5-benzo[b][1]benzoxepincarboxylic acid IUPAC Name: 3-tert-butylbenzo[b][1]benzoxepine-5-carboxylic acid Traditional Name: 3-tert-butylbenzo[b][1]benzoxepin-5-carboxylic acid Formula: C19H18O3 MolecularWeight: 294.34442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC3=CC=CC=C3C=C2C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC3=CC=CC=C3C=C2C(=O)O

InChI

InChI=1S/C19H18O3/c1-19(2,3)13-8-9-17-14(11-13)15(18(20)21)10-12-6-4-5-7-16(12)22-17/h4-11H,1-3H3,(H,20,21)