[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-methylbenzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-methylbenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C18H18O3S2 MolecularWeight: 346.46372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C3SCCS3)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C3SCCS3)OC

InChI

InChI=1S/C18H18O3S2/c1-12-4-3-5-13(10-12)17(19)21-15-7-6-14(11-16(15)20-2)18-22-8-9-23-18/h3-7,10-11,18H,8-9H2,1-2H3