2,3,8,12,13,17,18-heptaethyl-7-ethynyl-21,22-dihydroporphyrin

Systemtic Name: 2,3,8,12,13,17,18-heptaethyl-7-ethynyl-21,22-dihydroporphyrin Openeye Name: 2,3,8,12,13,17,18-heptaethyl-7-ethynyl-21,22-dihydroporphyrin CAS Name: 2,3,8,12,13,17,18-heptaethyl-7-ethynyl-21,22-dihydroporphyrin IUPAC Name: 2,3,8,12,13,17,18-heptaethyl-7-ethynyl-21,22-dihydroporphyrin Traditional Name: 2,3,8,12,13,17,18-heptaethyl-7-ethynyl-21,22-dihydroporphine Formula: C36H42N4 MolecularWeight: 530.74548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)CC)CC)CC)CC)CC)CC)C#C

Isomeric SMILES

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)CC)CC)CC)CC)CC)CC)C#C

InChI

InChI=1S/C36H42N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h1,17-20,37-38H,10-16H2,2-8H3