Summary
SMILES: CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)CInChI: InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3InChIKey: HBGGXOJOCNVPFY-UHFFFAOYSA-N
DeepSMILES: CCCCCCCCOC=O)cccccc6C=O)OCCCCCCCC)C))))))))))))))))))))))))C
Scaffold Graph/Node/Bond level: c1ccccc1
Scaffold Graph/Node level: C1CCCCC1
Scaffold Graph level: C1CCCCC1
Functional groups: cC(=O)OC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: BenzenoidsClassyFire Class: Benzene and substituted derivatives
ClassyFire Subclass: Benzoic acids and derivatives
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Phenolic acids (C6-C1)
NP Classifier Class: Shikimic acids and derivatives|Simple phenolic acids
Synonymous chemical names:bis-(7-methyloctyl)phthalate, bis-7-methyloctylphthalate
External chemical identifiers:CID:590836; ChEMBL:CHEMBL1905899; ChEBI:35459; ZINC:ZINC000004538442; FDASRS:4010KIX4CK; SureChEMBL:SCHEMBL21592; MolPort-003-913-210
Chemical structure download