dimethyl (E)-2-[3-(4-methoxyphenyl)-4,6,8-trimethyl-azulen-1-yl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[3-(4-methoxyphenyl)-4,6,8-trimethyl-azulen-1-yl]but-2-enedioate Openeye Name: dimethyl (E)-2-[3-(4-methoxyphenyl)-4,6,8-trimethyl-azulen-1-yl]but-2-enedioate CAS Name: (E)-2-[3-(4-methoxyphenyl)-4,6,8-trimethyl-1-azulenyl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[3-(4-methoxyphenyl)-4,6,8-trimethylazulen-1-yl]but-2-enedioate Traditional Name: (E)-2-[3-(4-methoxyphenyl)-4,6,8-trimethyl-azulen-1-yl]but-2-enedioic acid dimethyl ester Formula: C26H26O5 MolecularWeight: 418.48164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=C2C(=C1)C)C(=CC(=O)OC)C(=O)OC)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=C2C(=CC(=C2C(=C1)C)/C(=C\C(=O)OC)/C(=O)OC)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C26H26O5/c1-15-11-16(2)24-20(18-7-9-19(29-4)10-8-18)13-21(25(24)17(3)12-15)22(26(28)31-6)14-23(27)30-5/h7-14H,1-6H3/b22-14+