15-(2-ethynylphenyl)-10-hexyl-20-(2,4,6-trimethoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 15-(2-ethynylphenyl)-10-hexyl-20-(2,4,6-trimethoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 15-(2-ethynylphenyl)-10-hexyl-20-(2,4,6-trimethoxyphenyl)-21,22-dihydroporphyrin CAS Name: 15-(2-ethynylphenyl)-10-hexyl-20-(2,4,6-trimethoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 15-(2-ethynylphenyl)-10-hexyl-20-(2,4,6-trimethoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 15-(2-ethynylphenyl)-10-hexyl-20-(2,4,6-trimethoxyphenyl)-21,22-dihydroporphine Formula: C43H40N4O3 MolecularWeight: 660.8027

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=N3)C(=C4C=CC(=CC5=CC=C1N5)N4)C6=C(C=C(C=C6OC)OC)OC)C7=CC=CC=C7C#C

Isomeric SMILES

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=N3)C(=C4C=CC(=CC5=CC=C1N5)N4)C6=C(C=C(C=C6OC)OC)OC)C7=CC=CC=C7C#C

InChI

InChI=1S/C43H40N4O3/c1-6-8-9-10-15-32-33-18-16-28(44-33)24-29-17-19-37(45-29)42(43-39(49-4)25-30(48-3)26-40(43)50-5)38-23-22-36(47-38)41(35-21-20-34(32)46-35)31-14-12-11-13-27(31)7-2/h2,11-14,16-26,44-45H,6,8-10,15H2,1,3-5H3