[2-(4-methoxyphenyl)-4-oxidanylidene-chromen-3-yl] 2,3,4,5,6-pentamethylbenzenesulfonate

Systemtic Name: [2-(4-methoxyphenyl)-4-oxidanylidene-chromen-3-yl] 2,3,4,5,6-pentamethylbenzenesulfonate Openeye Name: [2-(4-methoxyphenyl)-4-oxo-chromen-3-yl] 2,3,4,5,6-pentamethylbenzenesulfonate CAS Name: 2,3,4,5,6-pentamethylbenzenesulfonic acid [2-(4-methoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-methoxyphenyl)-4-oxochromen-3-yl] 2,3,4,5,6-pentamethylbenzenesulfonate Traditional Name: 2,3,4,5,6-pentamethylbenzenesulfonic acid [4-keto-2-(4-methoxyphenyl)chromen-3-yl] ester Formula: C27H26O6S MolecularWeight: 478.55674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)OC2=C(OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)OC2=C(OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OC)C)C

InChI

InChI=1S/C27H26O6S/c1-15-16(2)18(4)27(19(5)17(15)3)34(29,30)33-26-24(28)22-9-7-8-10-23(22)32-25(26)20-11-13-21(31-6)14-12-20/h7-14H,1-6H3