7,8,9,10-tetrahydrobenzo[a]pyren-7-yl 4-chloranylbenzoate

Systemtic Name: 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl 4-chloranylbenzoate Openeye Name: 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl ester IUPAC Name: 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl ester Formula: C27H19ClO2 MolecularWeight: 410.89156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3)OC(=O)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CC(C2=C(C1)C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3)OC(=O)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C27H19ClO2/c28-20-12-9-18(10-13-20)27(29)30-24-6-2-5-21-22-14-11-17-4-1-3-16-7-8-19(15-23(21)24)26(22)25(16)17/h1,3-4,7-15,24H,2,5-6H2