1-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-oxidanyl-methyl]phenoxy]ethyl benzoate

Systemtic Name: 1-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-oxidanyl-methyl]phenoxy]ethyl benzoate Openeye Name: 1-[4-[hydroxy-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]methyl]phenoxy]ethyl benzoate CAS Name: benzoic acid 1-[4-[hydroxy-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]methyl]phenoxy]ethyl ester IUPAC Name: 1-[4-[hydroxy-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]methyl]phenoxy]ethyl benzoate Traditional Name: benzoic acid 1-[4-[hydroxy-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]methyl]phenoxy]ethyl ester Formula: C30H24O6S MolecularWeight: 512.57296

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC1=CC=C(C=C1)C(C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O)O)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(OC1=CC=C(C=C1)C(C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O)O)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H24O6S/c1-18(36-30(34)21-5-3-2-4-6-21)35-24-14-9-19(10-15-24)28(33)27-25-16-13-23(32)17-26(25)37-29(27)20-7-11-22(31)12-8-20/h2-18,28,31-33H,1H3