M+B 6153

Substructure search Find similar structures

Basic information

CAS: 5804-08-0
Standard SMILES: CCCCCCCCOc1ccc(N)cc1COCCC.Cc1ccc(C(=O)OC(C(=O)O)C(OC(=O)c2ccc(C)cc2)C(=O)O)cc1
InChIKey: WJPSWDDXDCDQAH-UHFFFAOYSA-N
Molecular formula: C38H49NO10
Average molar mass: 679.8 g/mol
Monoisotopic mass: 679.33564676

Names & identifiers

Preferred name: M+B 6153
IUPAC: 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;4-octoxy-3-(propoxymethyl)aniline

Names & synonyms

M+B 61535804-08-0M & B 6153RefChem:3514682,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;4-octoxy-3-(propoxymethyl)anilineDTXSID409736232,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--4-(octyloxy)-3-(propoxymethyl)aniline (1/1)

Database identifiers

CAS: 5804-08-0
PubChem CID: 201320
DTXSID: DTXSID40973623

Properties

Computed structural properties

Topological polar surface area: 172 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 11
Rotatable bonds: 21
Heavy atoms: 49
Formal charge: 0
Complexity: 768

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…