4-[(1E,3E)-4-(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)buta-1,3-dienyl]benzoic acid

Systemtic Name: 4-[(1E,3E)-4-(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)buta-1,3-dienyl]benzoic acid Openeye Name: 4-[(1E,3E)-4-(5-isopropyl-3,8-dimethyl-azulen-1-yl)buta-1,3-dienyl]benzoic acid CAS Name: 4-[(1E,3E)-4-(3,8-dimethyl-5-propan-2-yl-1-azulenyl)buta-1,3-dienyl]benzoic acid IUPAC Name: 4-[(1E,3E)-4-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)buta-1,3-dienyl]benzoic acid Traditional Name: 4-[(1E,3E)-4-(5-isopropyl-3,8-dimethyl-azulen-1-yl)buta-1,3-dienyl]benzoic acid Formula: C26H26O2 MolecularWeight: 370.48344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)C=CC=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)/C=C/C=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H26O2/c1-17(2)22-12-9-18(3)25-23(15-19(4)24(25)16-22)8-6-5-7-20-10-13-21(14-11-20)26(27)28/h5-17H,1-4H3,(H,27,28)/b7-5+,8-6+