S-[4-[15-cyclopentyl-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl] ethanethioate

Systemtic Name: S-[4-[15-cyclopentyl-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl] ethanethioate Openeye Name: S-[4-[15-cyclopentyl-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-[15-cyclopentyl-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl] ester IUPAC Name: S-[4-[15-cyclopentyl-10,20-bis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin-5-yl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-(15-cyclopentyl-10,20-dimesityl-21,22-dihydroporphin-5-yl)phenyl] ester Formula: C51H48N4OS MolecularWeight: 765.01802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7CCCC7)C8=C(C=C(C=C8C)C)C)C9=CC=C(C=C9)SC(=O)C)N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7CCCC7)C8=C(C=C(C=C8C)C)C)C9=CC=C(C=C9)SC(=O)C)N3)C

InChI

InChI=1S/C51H48N4OS/c1-28-24-30(3)46(31(4)25-28)50-42-20-16-38(52-42)48(35-10-8-9-11-35)39-17-21-43(53-39)51(47-32(5)26-29(2)27-33(47)6)45-23-19-41(55-45)49(40-18-22-44(50)54-40)36-12-14-37(15-13-36)57-34(7)56/h12-27,35,54-55H,8-11H2,1-7H3