[6-chloranyl-4-(4-iodanylbutoxy)-2,3-bis(3-methylphenoxy)naphthalen-1-yl] ethanoate

Systemtic Name: [6-chloranyl-4-(4-iodanylbutoxy)-2,3-bis(3-methylphenoxy)naphthalen-1-yl] ethanoate Openeye Name: [6-chloro-4-(4-iodobutoxy)-2,3-bis(3-methylphenoxy)-1-naphthyl] acetate CAS Name: acetic acid [6-chloro-4-(4-iodobutoxy)-2,3-bis(3-methylphenoxy)-1-naphthalenyl] ester IUPAC Name: [6-chloro-4-(4-iodobutoxy)-2,3-bis(3-methylphenoxy)naphthalen-1-yl] acetate Traditional Name: acetic acid [6-chloro-4-(4-iodobutoxy)-2,3-bis(3-methylphenoxy)-1-naphthyl] ester Formula: C30H28ClIO5 MolecularWeight: 630.89779

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(C3=C(C=C(C=C3)Cl)C(=C2OC4=CC=CC(=C4)C)OCCCCI)OC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(C3=C(C=C(C=C3)Cl)C(=C2OC4=CC=CC(=C4)C)OCCCCI)OC(=O)C

InChI

InChI=1S/C30H28ClIO5/c1-19-8-6-10-23(16-19)36-29-27(34-15-5-4-14-32)26-18-22(31)12-13-25(26)28(35-21(3)33)30(29)37-24-11-7-9-20(2)17-24/h6-13,16-18H,4-5,14-15H2,1-3H3