S-[1-[1,4-dimethoxy-5,8-bis(oxidanylidene)naphthalen-2-yl]-4-methyl-pent-3-enyl] 2-methoxybenzenecarbothioate

Systemtic Name: S-[1-[1,4-dimethoxy-5,8-bis(oxidanylidene)naphthalen-2-yl]-4-methyl-pent-3-enyl] 2-methoxybenzenecarbothioate Openeye Name: S-[1-(1,4-dimethoxy-5,8-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 2-methoxybenzenecarbothioate CAS Name: 2-methoxybenzenecarbothioic acid S-[1-(1,4-dimethoxy-5,8-dioxo-2-naphthalenyl)-4-methylpent-3-enyl] ester IUPAC Name: S-[1-(1,4-dimethoxy-5,8-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methoxybenzenecarbothioate Traditional Name: 2-methoxythiobenzoic acid S-[1-(5,8-diketo-1,4-dimethoxy-2-naphthyl)-4-methyl-pent-3-enyl] ester Formula: C26H26O6S MolecularWeight: 466.54604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(C1=CC(=C2C(=O)C=CC(=O)C2=C1OC)OC)SC(=O)C3=CC=CC=C3OC)C

Isomeric SMILES

CC(=CCC(C1=CC(=C2C(=O)C=CC(=O)C2=C1OC)OC)SC(=O)C3=CC=CC=C3OC)C

InChI

InChI=1S/C26H26O6S/c1-15(2)10-13-22(33-26(29)16-8-6-7-9-20(16)30-3)17-14-21(31-4)23-18(27)11-12-19(28)24(23)25(17)32-5/h6-12,14,22H,13H2,1-5H3