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2,3-bis(6-methylheptyl)-6-phenylmethoxycarbonyl-benzoic acid

2,3-bis(6-methylheptyl)-6-phenylmethoxycarbonyl-benzoic acid

Systemtic Name:2,3-bis(6-methylheptyl)-6-phenylmethoxycarbonyl-benzoic acid
Openeye Name:6-benzyloxycarbonyl-2,3-bis(6-methylheptyl)benzoic acid
CAS Name:2,3-bis(6-methylheptyl)-6-phenylmethoxycarbonylbenzoic acid
IUPAC Name:2,3-bis(6-methylheptyl)-6-phenylmethoxycarbonylbenzoic acid
Traditional Name:6-carbobenzoxy-2,3-bis(6-methylheptyl)benzoic acid
Formula: C31H44O4
MolecularWeight: 480.67866
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC1=C(C(=C(C=C1)C(=O)OCC2=CC=CC=C2)C(=O)O)CCCCCC(C)C


Isomeric SMILES

CC(C)CCCCCC1=C(C(=C(C=C1)C(=O)OCC2=CC=CC=C2)C(=O)O)CCCCCC(C)C


InChI

InChI=1S/C31H44O4/c1-23(2)14-8-5-12-18-26-20-21-28(31(34)35-22-25-16-10-7-11-17-25)29(30(32)33)27(26)19-13-6-9-15-24(3)4/h7,10-11,16-17,20-21,23-24H,5-6,8-9,12-15,18-19,22H2,1-4H3,(H,32,33)


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