dimethyl (E)-2-(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)but-2-enedioate

Systemtic Name: dimethyl (E)-2-(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)but-2-enedioate Openeye Name: dimethyl (E)-2-(5-isopropyl-3,8-dimethyl-azulen-1-yl)but-2-enedioate CAS Name: (E)-2-(3,8-dimethyl-5-propan-2-yl-1-azulenyl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)but-2-enedioate Traditional Name: (E)-2-(5-isopropyl-3,8-dimethyl-azulen-1-yl)but-2-enedioic acid dimethyl ester Formula: C21H24O4 MolecularWeight: 340.41286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)C(=CC(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)/C(=C\C(=O)OC)/C(=O)OC

InChI

InChI=1S/C21H24O4/c1-12(2)15-8-7-13(3)20-16(10-15)14(4)9-17(20)18(21(23)25-6)11-19(22)24-5/h7-12H,1-6H3/b18-11+