2,3-bis[3-methylidene-5-(phenylmethyl)-4,5-dihydro-1-benzoxepin-7-yl]butane-2,3-diol

Systemtic Name: 2,3-bis[3-methylidene-5-(phenylmethyl)-4,5-dihydro-1-benzoxepin-7-yl]butane-2,3-diol Openeye Name: 2,3-bis(5-benzyl-3-methylene-4,5-dihydro-1-benzoxepin-7-yl)butane-2,3-diol CAS Name: 2,3-bis[3-methylene-5-(phenylmethyl)-4,5-dihydro-1-benzoxepin-7-yl]butane-2,3-diol IUPAC Name: 2,3-bis(5-benzyl-3-methylidene-4,5-dihydro-1-benzoxepin-7-yl)butane-2,3-diol Traditional Name: 2,3-bis(5-benzyl-3-methylene-4,5-dihydro-1-benzoxepin-7-yl)butane-2,3-diol Formula: C40H42O4 MolecularWeight: 586.75908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=C)CC2CC3=CC=CC=C3)(C(C)(C4=CC5=C(C=C4)OCC(=C)CC5CC6=CC=CC=C6)O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCC(=C)CC2CC3=CC=CC=C3)(C(C)(C4=CC5=C(C=C4)OCC(=C)CC5CC6=CC=CC=C6)O)O

InChI

InChI=1S/C40H42O4/c1-27-19-31(21-29-11-7-5-8-12-29)35-23-33(15-17-37(35)43-25-27)39(3,41)40(4,42)34-16-18-38-36(24-34)32(20-28(2)26-44-38)22-30-13-9-6-10-14-30/h5-18,23-24,31-32,41-42H,1-2,19-22,25-26H2,3-4H3