(E)-3-[3-[5-(1-adamantyl)-6-oxidanyl-1-benzothiophen-3-yl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[5-(1-adamantyl)-6-oxidanyl-1-benzothiophen-3-yl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[5-(1-adamantyl)-6-hydroxy-benzothiophen-3-yl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[5-(1-adamantyl)-6-hydroxy-1-benzothiophen-3-yl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[5-(1-adamantyl)-6-hydroxy-1-benzothiophen-3-yl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[5-(1-adamantyl)-6-hydroxy-benzothiophen-3-yl]phenyl]acrylic acid Formula: C27H26O3S MolecularWeight: 430.55854

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C(=C4)C(=CS5)C6=CC(=CC=C6)C=CC(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C(=C4)C(=CS5)C6=CC(=CC=C6)/C=C/C(=O)O)O

InChI

InChI=1S/C27H26O3S/c28-24-11-25-21(10-23(24)27-12-17-6-18(13-27)8-19(7-17)14-27)22(15-31-25)20-3-1-2-16(9-20)4-5-26(29)30/h1-5,9-11,15,17-19,28H,6-8,12-14H2,(H,29,30)/b5-4+