(E)-3-[(10bR,10cR)-2,7-ditert-butyl-10b,10c-dimethyl-pyren-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[(10bR,10cR)-2,7-ditert-butyl-10b,10c-dimethyl-pyren-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[(10bR,10cR)-2,7-ditert-butyl-10b,10c-dimethyl-pyren-4-yl]prop-2-enoic acid CAS Name: (E)-3-[(10bR,10cR)-2,7-ditert-butyl-10b,10c-dimethyl-4-pyrenyl]-2-propenoic acid IUPAC Name: (E)-3-[(10bR,10cR)-2,7-ditert-butyl-10b,10c-dimethylpyren-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[(10bR,10cR)-2,7-ditert-butyl-10b,10c-dimethyl-pyren-4-yl]acrylic acid Formula: C29H34O2 MolecularWeight: 414.57906

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Descriptors Computed from Structure

Canonical SMILES:

CC12C3=CC(=CC1=CC(=C4C2(C(=CC(=C4)C(C)(C)C)C=C3)C)C=CC(=O)O)C(C)(C)C

Isomeric SMILES

C[C@@]12C3=CC(=CC1=CC(=C4[C@]2(C(=CC(=C4)C(C)(C)C)C=C3)C)/C=C/C(=O)O)C(C)(C)C

InChI

InChI=1S/C29H34O2/c1-26(2,3)21-14-19-10-11-20-15-22(27(4,5)6)17-24-18(9-12-25(30)31)13-23(16-21)28(19,7)29(20,24)8/h9-17H,1-8H3,(H,30,31)/b12-9+/t28-,29-/m1/s1